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

C20H30N4O3 — CID 127624175

IUPAC1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCOCCOc1ncccc1NC(=O)N1CCC2C(CCCN2C2CC2)C1
InChIInChI=1S/C20H30N4O3/c1-26-12-13-27-19-17(5-2-9-21-19)22-20(25)23-11-8-18-15(14-23)4-3-10-24(18)16-6-7-16/h2,5,9,15-16,18H,3-4,6-8,10-14H2,1H3,(H,22,25)
InChIKeyQVJOYTCCRWTIBO-UHFFFAOYSA-N
MW374.49 g/mol
LogP2.59
Rot. Bonds6

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

1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (PubChem CID 127624175) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.

Molecular Properties

Compound Name1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
PubChem CID127624175
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC Name1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
SMILESCOCCOc1ncccc1NC(=O)N1CCC2C(CCCN2C2CC2)C1
InChIInChI=1S/C20H30N4O3/c1-26-12-13-27-19-17(5-2-9-21-19)22-20(25)23-11-8-18-15(14-23)4-3-10-24(18)16-6-7-16/h2,5,9,15-16,18H,3-4,6-8,10-14H2,1H3,(H,22,25)
InChIKeyQVJOYTCCRWTIBO-UHFFFAOYSA-N
XLogP2.59
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(3aR,6aR)-N-[2-(2,2-difluoroethoxy)-3-pyridinyl]-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrole-5-carboxamide
CID 136582536
N-(2-methoxy-3-pyridinyl)-3-methylpiperidine-1-carboxamide
CID 47042573
1-cyclopropyl-N-(2-phenylpyrimidin-5-yl)-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide
CID 127623587
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
1-N-(2-methoxy-3-pyridinyl)piperidine-1,4-dicarboxamide
CID 47222931
(4-cyclopropylpiperazin-1-yl)-[2-(2-methoxyethoxy)-3-pyridinyl]methanone
CID 86853356
(2R)-N-(2-ethoxy-3-pyridinyl)-2-pyridin-4-ylpyrrolidine-1-carboxamide
CID 94170252
(2S,6S)-N-(2-ethoxy-3-pyridinyl)-2,6-dimethylmorpholine-4-carboxamide
CID 94028765
(3S)-N-(2-methoxy-3-pyridinyl)-3-[[methyl(propyl)amino]methyl]pyrrolidine-1-carboxamide
CID 95783484
N-[2-(2-methoxyethoxy)-3-pyridinyl]-3-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 56500263
N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-N'-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109442956
1-[2-(2-methoxyethoxy)-3-pyridinyl]-3-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]urea
CID 95568571

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The IUPAC name of 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide (CID 127624175) is 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide.
What is the SMILES notation for 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The canonical SMILES for 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is COCCOc1ncccc1NC(=O)N1CCC2C(CCCN2C2CC2)C1.
What is the InChIKey of 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
The InChIKey is QVJOYTCCRWTIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c1-26-12-13-27-19-17(5-2-9-21-19)22-20(25)23-11-8-18-15(14-23)4-3-10-24(18)16-6-7-16/h2,5,9,15-16,18H,3-4,6-8,10-14H2,1H3,(H,22,25).
What are the key properties of 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide?
1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide has a molecular weight of 374.49 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[2-(2-methoxyethoxy)-3-pyridinyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine-6-carboxamide is sourced from PubChem (CID 127624175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).