6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

C16H25N3O3 — CID 133447591

IUPAC6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCC2(O)CCCCC2)nc1
InChIInChI=1S/C16H25N3O3/c1-22-10-9-17-15(20)13-5-6-14(18-11-13)19-12-16(21)7-3-2-4-8-16/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,17,20)(H,18,19)
InChIKeyBZGBIBQJPYRNNV-UHFFFAOYSA-N
MW307.39 g/mol
LogP1.56
Rot. Bonds7

About 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide

6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (PubChem CID 133447591) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
PubChem CID133447591
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC Name6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
SMILESCOCCNC(=O)c1ccc(NCC2(O)CCCCC2)nc1
InChIInChI=1S/C16H25N3O3/c1-22-10-9-17-15(20)13-5-6-14(18-11-13)19-12-16(21)7-3-2-4-8-16/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,17,20)(H,18,19)
InChIKeyBZGBIBQJPYRNNV-UHFFFAOYSA-N
XLogP1.56
TPSA83.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[2-(cyclohexen-1-yl)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 109152684
6-[[(1S,2S)-2-hydroxycyclohexyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133495372
N-(2-methoxyethyl)-6-(pyridin-2-ylmethylamino)pyridine-3-carboxamide
CID 109152998
6-(cycloheptylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109153322
6-chloro-N-[(1-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 65107127
6-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 95614167
6-(butylamino)-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 109151550
6-[[(2R)-2-(dimethylamino)-2-phenylethyl]amino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 96531055
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
6-[(1,5-dimethylpyrazol-4-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133405545
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218

Frequently Asked Questions

What is the IUPAC name of 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The IUPAC name of 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide (CID 133447591) is 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is COCCNC(=O)c1ccc(NCC2(O)CCCCC2)nc1.
What is the InChIKey of 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
The InChIKey is BZGBIBQJPYRNNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-22-10-9-17-15(20)13-5-6-14(18-11-13)19-12-16(21)7-3-2-4-8-16/h5-6,11,21H,2-4,7-10,12H2,1H3,(H,17,20)(H,18,19).
What are the key properties of 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide?
6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide has a molecular weight of 307.39 g/mol, XLogP of 1.56, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-hydroxycyclohexyl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide is sourced from PubChem (CID 133447591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).