6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide

C11H16N4O — CID 78990640

IUPAC6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCNC2)nc1
InChIInChI=1S/C11H16N4O/c12-11(16)9-1-2-10(15-7-9)14-6-8-3-4-13-5-8/h1-2,7-8,13H,3-6H2,(H2,12,16)(H,14,15)
InChIKeySBGNDGIVNMCOMZ-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.20
Rot. Bonds4

About 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide

6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 78990640) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID78990640
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide
SMILESNC(=O)c1ccc(NCC2CCNC2)nc1
InChIInChI=1S/C11H16N4O/c12-11(16)9-1-2-10(15-7-9)14-6-8-3-4-13-5-8/h1-2,7-8,13H,3-6H2,(H2,12,16)(H,14,15)
InChIKeySBGNDGIVNMCOMZ-UHFFFAOYSA-N
XLogP0.20
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2-pyrrolidin-3-ylethoxy)pyridine-3-carboxamide
CID 114796308
6-(cyclopentylamino)pyridine-3-carboxamide
CID 112722808
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
2-N-(piperidin-4-ylmethyl)pyridine-2,5-diamine
CID 117044535
6-[[4-(aminomethyl)cyclohexyl]amino]pyridine-3-carboxamide
CID 112753159
6-[(2-methyloxolan-3-yl)methylamino]pyridine-3-carboxamide
CID 114106328
6-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 96586619
6-cyclobutyl-N-(pyrrolidin-3-ylmethyl)pyridazin-3-amine
CID 116971097
6-(cyclohexylamino)pyridine-3-carboxamide;hydrochloride
CID 3031414
5-chloro-2-(pyrrolidin-3-ylmethylamino)benzamide
CID 80564049
N-(pyrrolidin-3-ylmethyl)-1,2,4-triazin-6-amine
CID 112709455
6-[[1-(aminomethyl)cyclopentyl]methylamino]pyridine-3-carboxamide
CID 115366055

Frequently Asked Questions

What is the IUPAC name of 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide (CID 78990640) is 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide is NC(=O)c1ccc(NCC2CCNC2)nc1.
What is the InChIKey of 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is SBGNDGIVNMCOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-11(16)9-1-2-10(15-7-9)14-6-8-3-4-13-5-8/h1-2,7-8,13H,3-6H2,(H2,12,16)(H,14,15).
What are the key properties of 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide?
6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyrrolidin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 78990640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).