2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide

C12H17N3O2 — CID 55126271

IUPAC2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCCN1
InChIInChI=1S/C12H17N3O2/c1-17-12-10(5-3-7-14-12)11(16)15-8-9-4-2-6-13-9/h3,5,7,9,13H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyDLUSECNHBKFICP-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.57
Rot. Bonds4

About 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide

2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 55126271) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
PubChem CID55126271
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NCC1CCCN1
InChIInChI=1S/C12H17N3O2/c1-17-12-10(5-3-7-14-12)11(16)15-8-9-4-2-6-13-9/h3,5,7,9,13H,2,4,6,8H2,1H3,(H,15,16)
InChIKeyDLUSECNHBKFICP-UHFFFAOYSA-N
XLogP0.57
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide;dihydrochloride
CID 119514467
2-(2,4-dichlorophenoxy)-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 119514700
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-methoxypyridine-3-carboxamide
CID 113273848
N-[(4-aminocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 106124683
N-[(4-bromocyclohexyl)methyl]-2-methoxypyridine-3-carboxamide
CID 114148107
methyl 2-(pyrrolidin-2-ylmethoxy)pyridine-3-carboxylate
CID 62347787
N-(3-chloropropyl)-2-methoxypyridine-3-carboxamide
CID 62873972
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
2-methoxy-3-(pyrrolidin-2-ylmethoxy)pyridine
CID 122208651
N-[(1-benzylpiperidin-4-yl)methyl]-2-methoxypyridine-3-carboxamide
CID 136579147
2-methoxy-N-(3-piperidin-4-yloxypropyl)pyridine-3-carboxamide
CID 63869445
N-(2-hydroxy-2-methylpropyl)-2-methoxypyridine-3-carboxamide
CID 65109453

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide (CID 55126271) is 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide is COc1ncccc1C(=O)NCC1CCCN1.
What is the InChIKey of 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is DLUSECNHBKFICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-17-12-10(5-3-7-14-12)11(16)15-8-9-4-2-6-13-9/h3,5,7,9,13H,2,4,6,8H2,1H3,(H,15,16).
What are the key properties of 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide?
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 55126271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).