N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C11H15N3O2 — CID 171149979

IUPACN-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CNCC1CO)c1cccnc1
InChIInChI=1S/C11H15N3O2/c15-7-9-5-13-6-10(9)14-11(16)8-2-1-3-12-4-8/h1-4,9-10,13,15H,5-7H2,(H,14,16)
InChIKeyRUNFNKRYXCCQPS-UHFFFAOYSA-N
MW221.26 g/mol
LogP-0.61
Rot. Bonds3

About N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide

N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 171149979) has the molecular formula C11H15N3O2 and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID171149979
Molecular FormulaC11H15N3O2
Molecular Weight221.26 g/mol
Exact Mass221.12
IUPAC NameN-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CNCC1CO)c1cccnc1
InChIInChI=1S/C11H15N3O2/c15-7-9-5-13-6-10(9)14-11(16)8-2-1-3-12-4-8/h1-4,9-10,13,15H,5-7H2,(H,14,16)
InChIKeyRUNFNKRYXCCQPS-UHFFFAOYSA-N
XLogP-0.61
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]pyridine-3-carboxamide
CID 125073491
N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 11841361
N-[(3S,4S)-4-(hydroxymethyl)piperidin-3-yl]benzamide
CID 71836746
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-[(3S,4R)-1-(5-bromopyridine-3-carbonyl)-3-(hydroxymethyl)piperidin-4-yl]pyridine-3-carboxamide
CID 91915981
2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 75356428
trans-(1R,2R)-2-(pyridine-3-carbonylamino)cycloheptane-1-carboxylic acid
CID 97161380
N-(2-amino-5-bromocyclohexyl)pyridine-3-carboxamide
CID 142751130
N-(oxetan-3-yl)pyridine-3-carboxamide
CID 66910448
N-[(3R,3aR,7aS)-1,2,3,3a,5,6,7,7a-octahydropyrano[3,2-b]pyrrol-3-yl]pyridine-3-carboxamide;dihydrochloride
CID 127021534
[(1R,2R,3S,4R)-2,3-dihydroxy-4-(pyridine-3-carbonylamino)cyclopentyl]methyl sulfamate
CID 59671285
N-(3-oxo-3-piperazin-1-ylpropyl)pyridine-3-carboxamide
CID 28709234

Frequently Asked Questions

What is the IUPAC name of N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 171149979) is N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide is O=C(NC1CNCC1CO)c1cccnc1.
What is the InChIKey of N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is RUNFNKRYXCCQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O2/c15-7-9-5-13-6-10(9)14-11(16)8-2-1-3-12-4-8/h1-4,9-10,13,15H,5-7H2,(H,14,16).
What are the key properties of N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 221.26 g/mol, XLogP of -0.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxymethyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 171149979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).