1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

C21H28N6O — CID 167816356

IUPAC1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)N3CCC4C(CCCN4C4CC4)C3)c2)cn1
InChIInChI=1S/C21H28N6O/c1-25-13-17(12-23-25)15-6-8-22-20(11-15)24-21(28)26-10-7-19-16(14-26)3-2-9-27(19)18-4-5-18/h6,8,11-13,16,18-19H,2-5,7,9-10,14H2,1H3,(H,22,24,28)
InChIKeyQJGGECLYUOOEQN-UHFFFAOYSA-N
MW380.50 g/mol
LogP2.96
Rot. Bonds3

About 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide

1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (PubChem CID 167816356) has the molecular formula C21H28N6O and a molecular weight of 380.50 g/mol. Its IUPAC name is 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
PubChem CID167816356
Molecular FormulaC21H28N6O
Molecular Weight380.50 g/mol
Exact Mass380.23
IUPAC Name1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCn1cc(-c2ccnc(NC(=O)N3CCC4C(CCCN4C4CC4)C3)c2)cn1
InChIInChI=1S/C21H28N6O/c1-25-13-17(12-23-25)15-6-8-22-20(11-15)24-21(28)26-10-7-19-16(14-26)3-2-9-27(19)18-4-5-18/h6,8,11-13,16,18-19H,2-5,7,9-10,14H2,1H3,(H,22,24,28)
InChIKeyQJGGECLYUOOEQN-UHFFFAOYSA-N
XLogP2.96
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.50
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide with MolForge

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Related Compounds

4-(dimethylamino)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-1-carboxamide
CID 167854454
4-methyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-4-piperidin-1-ylpiperidine-1-carboxamide
CID 167945884
4-tert-butyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperazine-1-carboxamide
CID 167767382
1-cyclopropyl-N-(2-phenylpyrimidin-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127623587
1-(2,2-difluoroethyl)-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]piperidine-3-carboxamide
CID 167842832
N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrrolidine-1-carboxamide
CID 168793398
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-[3-(1-methylpyrazol-4-yl)phenyl]methanone
CID 119072767
4-(2,2-dimethylpropyl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]piperazine-1-carboxamide
CID 135251253
(E)-1-(1-cyclopropyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-phenylbut-3-ene-1,2-dione
CID 138009248
N-[4-deuterio-6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-methylpiperazine-1-carboxamide
CID 172851605
3-methyl-N-[6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxamide
CID 138588848
2-(4-cyclopropylpiperidin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]acetamide
CID 155241408

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (CID 167816356) is 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is Cn1cc(-c2ccnc(NC(=O)N3CCC4C(CCCN4C4CC4)C3)c2)cn1.
What is the InChIKey of 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The InChIKey is QJGGECLYUOOEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N6O/c1-25-13-17(12-23-25)15-6-8-22-20(11-15)24-21(28)26-10-7-19-16(14-26)3-2-9-27(19)18-4-5-18/h6,8,11-13,16,18-19H,2-5,7,9-10,14H2,1H3,(H,22,24,28).
What are the key properties of 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide has a molecular weight of 380.50 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[4-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 167816356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).