7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide

C25H34N8O3 — CID 142483705

IUPAC7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)C2CCCC2)C3)n1)N(N)C(C)CO
InChIInChI=1S/C25H34N8O3/c1-16(15-34)33(27)23(26)20-8-5-9-22(29-20)30-24(35)21-12-18-14-32(11-10-17(18)13-28-21)25(36)31(2)19-6-3-4-7-19/h5,8-9,12-13,16,19,26,34H,3-4,6-7,10-11,14-15,27H2,1-2H3,(H,29,30,35)/b26-23-
InChIKeyUKIVAQZOZGRXSD-RWEWTDSWSA-N
MW494.60 g/mol
LogP1.96
Rot. Bonds6

About 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide

7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide (PubChem CID 142483705) has the molecular formula C25H34N8O3 and a molecular weight of 494.60 g/mol. Its IUPAC name is 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide.

Molecular Properties

Compound Name7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
PubChem CID142483705
Molecular FormulaC25H34N8O3
Molecular Weight494.60 g/mol
Exact Mass494.28
IUPAC Name7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
SMILES[H]/N=C(/c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)C2CCCC2)C3)n1)N(N)C(C)CO
InChIInChI=1S/C25H34N8O3/c1-16(15-34)33(27)23(26)20-8-5-9-22(29-20)30-24(35)21-12-18-14-32(11-10-17(18)13-28-21)25(36)31(2)19-6-3-4-7-19/h5,8-9,12-13,16,19,26,34H,3-4,6-7,10-11,14-15,27H2,1-2H3,(H,29,30,35)/b26-23-
InChIKeyUKIVAQZOZGRXSD-RWEWTDSWSA-N
XLogP1.96
TPSA151.77 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.60
LogP ≤ 51.96
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide with MolForge

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Related Compounds

7-N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-N-cyclopropyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide
CID 142483955
N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-6-methoxy-2-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483880
N-[6-[N-amino-N-(1-hydroxypropan-2-yl)-N'-methylcarbamimidoyl]-2-pyridinyl]-6-methyl-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 142483687
N-[6-(N-methanimidoyl-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-2-(pyrrolidine-1-carbonyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide
CID 142483703
N-[6-[(Z)-N-amino-N-(1-hydroxypropan-2-yl)carbamohydrazonoyl]-2-pyridinyl]-2-pyrrolidin-1-ylsulfanyl-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxamide;methanol
CID 142483654
tert-butyl 7-[[6-[(Z)-N-amino-N-propan-2-ylcarbamohydrazonoyl]-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 142483788
CID 155700921
CID 155700921
6-(cyclopentanecarbonyl)-N-[6-(5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155700768
2,2,2-trifluoroethyl 7-[[6-(2-iminopiperidine-1-carboximidoyl)-2-pyridinyl]carbamoyl]-3,4-dihydro-1H-2,6-naphthyridine-2-carboxylate
CID 155700472
N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-ethyl-6-methoxy-1,3-dihydroisoindole-5-carboxamide;formic acid
CID 142483835
6-[(3S)-3-hydroxybutanoyl]-N-[6-[(5R)-5-methyl-6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl]-2-pyridinyl]-7,8-dihydro-5H-2,6-naphthyridine-3-carboxamide
CID 155157376
N-[6-(N-amino-N-propan-2-ylcarbamimidoyl)-2-pyridinyl]-6-methoxy-2-(3-methoxypropanoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 142483769

Frequently Asked Questions

What is the IUPAC name of 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The IUPAC name of 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide (CID 142483705) is 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide.
What is the SMILES notation for 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The canonical SMILES for 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide is [H]/N=C(/c1cccc(NC(=O)c2cc3c(cn2)CCN(C(=O)N(C)C2CCCC2)C3)n1)N(N)C(C)CO.
What is the InChIKey of 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
The InChIKey is UKIVAQZOZGRXSD-RWEWTDSWSA-N. The full InChI is InChI=1S/C25H34N8O3/c1-16(15-34)33(27)23(26)20-8-5-9-22(29-20)30-24(35)21-12-18-14-32(11-10-17(18)13-28-21)25(36)31(2)19-6-3-4-7-19/h5,8-9,12-13,16,19,26,34H,3-4,6-7,10-11,14-15,27H2,1-2H3,(H,29,30,35)/b26-23-.
What are the key properties of 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide?
7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide has a molecular weight of 494.60 g/mol, XLogP of 1.96, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-N-[6-[N-amino-N-(1-hydroxypropan-2-yl)carbamimidoyl]-2-pyridinyl]-2-N-cyclopentyl-2-N-methyl-3,4-dihydro-1H-2,6-naphthyridine-2,7-dicarboxamide is sourced from PubChem (CID 142483705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).