N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide

C14H20N6O — CID 172615863

IUPACN-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide
SMILESCN(N)C1=C(N)c2ccnc(NC(=O)C3CC3)c2N(C)C1
InChIInChI=1S/C14H20N6O/c1-19-7-10(20(2)16)11(15)9-5-6-17-13(12(9)19)18-14(21)8-3-4-8/h5-6,8H,3-4,7,15-16H2,1-2H3,(H,17,18,21)
InChIKeyGQYCVLPBDYIVNJ-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.31
Rot. Bonds3

About N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide

N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide (PubChem CID 172615863) has the molecular formula C14H20N6O and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide
PubChem CID172615863
Molecular FormulaC14H20N6O
Molecular Weight288.35 g/mol
Exact Mass288.17
IUPAC NameN-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide
SMILESCN(N)C1=C(N)c2ccnc(NC(=O)C3CC3)c2N(C)C1
InChIInChI=1S/C14H20N6O/c1-19-7-10(20(2)16)11(15)9-5-6-17-13(12(9)19)18-14(21)8-3-4-8/h5-6,8H,3-4,7,15-16H2,1-2H3,(H,17,18,21)
InChIKeyGQYCVLPBDYIVNJ-UHFFFAOYSA-N
XLogP0.31
TPSA100.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethyl-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl)cyclopropanecarboxamide
CID 170348041
N-[(3Z)-3-(cyclopropylhydrazinylidene)-4-imino-1,2-dimethyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide;ethane
CID 172615707
N-(2,4-dimethyl-3-pyridinyl)cyclopropanecarboxamide
CID 130527162
1-N,4-N-bis[2-[2-(dimethylamino)ethyl]pyrazol-3-yl]cyclohexane-1,4-dicarboxamide
CID 167816670
N-[4-[[3-(difluoromethyl)-2,5-dimethyl-4H-imidazo[4,5-c][1,7]naphthyridin-6-yl]amino]-5-(3,3,3-trideuteriopropanoyl)-2-pyridinyl]cyclopropanecarboxamide
CID 170600201
N-(4,8-dimethyl-2,3,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(13),3,5,9,11-pentaen-10-yl)cyclopropanecarboxamide
CID 164903013
N-(3-tert-butyl-2-pyridinyl)cyclopropanecarboxamide
CID 89458374
N-[4,5-dimethyl-2-(2-trimethylsilylethoxymethyl)-4H-triazolo[4,5-c][1,7]naphthyridin-6-yl]cyclopropanecarboxamide
CID 172615839
2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 154799962
N-(3-amino-2-pyridinyl)-3,3-difluorocyclopentane-1-carboxamide
CID 114226135
4-(2-aminopropan-2-yl)-N-(2-amino-4-pyridinyl)cyclohexane-1-carboxamide
CID 18998639
N-(1-methylbenzimidazol-5-yl)cyclopropanecarboxamide
CID 110728508

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide?
The IUPAC name of N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide (CID 172615863) is N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide is CN(N)C1=C(N)c2ccnc(NC(=O)C3CC3)c2N(C)C1.
What is the InChIKey of N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide?
The InChIKey is GQYCVLPBDYIVNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-19-7-10(20(2)16)11(15)9-5-6-17-13(12(9)19)18-14(21)8-3-4-8/h5-6,8H,3-4,7,15-16H2,1-2H3,(H,17,18,21).
What are the key properties of N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide?
N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.31, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-amino-3-[amino(methyl)amino]-1-methyl-2H-1,7-naphthyridin-8-yl]cyclopropanecarboxamide is sourced from PubChem (CID 172615863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).