N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide

C13H18N2O3 — CID 113259274

IUPACN-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCC2CO)cn1
InChIInChI=1S/C13H18N2O3/c1-18-12-6-5-9(7-14-12)13(17)15-11-4-2-3-10(11)8-16/h5-7,10-11,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyCVHPRAGSBNNXAG-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.98
Rot. Bonds4

About N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide

N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide (PubChem CID 113259274) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
PubChem CID113259274
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC NameN-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCCC2CO)cn1
InChIInChI=1S/C13H18N2O3/c1-18-12-6-5-9(7-14-12)13(17)15-11-4-2-3-10(11)8-16/h5-7,10-11,16H,2-4,8H2,1H3,(H,15,17)
InChIKeyCVHPRAGSBNNXAG-UHFFFAOYSA-N
XLogP0.98
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(hydroxymethyl)cyclopentyl]-3,4-dimethoxybenzamide
CID 103751338
6-methoxy-N-[(1R,2S)-2-(3-methoxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
CID 91925645
4-ethoxy-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 103751428
6-methoxy-N-[(1R,2S)-2-(3-propan-2-yloxypropylcarbamoyl)cyclopentyl]pyridine-3-carboxamide
CID 91913037
6-methoxy-N-[(1R,2S)-2-(4-propan-2-ylpiperazine-1-carbonyl)cyclopentyl]pyridine-3-carboxamide
CID 91912962
4-fluoro-N-[(1R,2R)-2-(hydroxymethyl)cycloheptyl]-3-methoxybenzamide
CID 99776479
4-amino-N-[2-(hydroxymethyl)cyclopentyl]benzamide
CID 113266858
N-[2-(hydroxymethyl)cyclopentyl]pyridine-4-carboxamide
CID 103751246
6-methoxy-N-[(3S,4R)-3-methoxyoxan-4-yl]pyridine-3-carboxamide
CID 91793620
5,6-dichloro-N-[2-(hydroxymethyl)cyclopentyl]pyridine-3-carboxamide
CID 103774208
3,5-dichloro-N-[2-(hydroxymethyl)cyclopentyl]-4-methoxybenzamide
CID 103751365
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114

Frequently Asked Questions

What is the IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide (CID 113259274) is N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC2CCCC2CO)cn1.
What is the InChIKey of N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is CVHPRAGSBNNXAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-18-12-6-5-9(7-14-12)13(17)15-11-4-2-3-10(11)8-16/h5-7,10-11,16H,2-4,8H2,1H3,(H,15,17).
What are the key properties of N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide?
N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 250.30 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(hydroxymethyl)cyclopentyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 113259274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).