N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide

C13H18N4O2 — CID 87729472

IUPACN-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCCNc1ccnc(N2CCCC2)c1C(=O)N=O
InChIInChI=1S/C13H18N4O2/c1-2-6-14-10-5-7-15-12(11(10)13(18)16-19)17-8-3-4-9-17/h5,7H,2-4,6,8-9H2,1H3,(H,14,15)
InChIKeySHSMAPCTGPCSGT-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.41
Rot. Bonds5

About N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide

N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide (PubChem CID 87729472) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
PubChem CID87729472
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide
SMILESCCCNc1ccnc(N2CCCC2)c1C(=O)N=O
InChIInChI=1S/C13H18N4O2/c1-2-6-14-10-5-7-15-12(11(10)13(18)16-19)17-8-3-4-9-17/h5,7H,2-4,6,8-9H2,1H3,(H,14,15)
InChIKeySHSMAPCTGPCSGT-UHFFFAOYSA-N
XLogP2.41
TPSA74.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(4-fluorophenyl)piperazin-1-yl]-N,N-dimethyl-4-(propylamino)pyridine-3-carboxamide;hydrochloride
CID 67704361
N-pentyl-2-pyrrolidin-1-ylpyridin-3-amine
CID 43676361
4-(propylamino)-N-(2-pyrrolidin-1-ylethyl)pyridine-3-carboxamide
CID 81240630
1-[[3-(propylamino)-2-pyridinyl]sulfonyl]piperidin-3-ol
CID 103305498
2-[(3S)-3-(hydroxymethyl)piperidin-1-yl]-N-propylpyridine-3-carboxamide
CID 39834364
N-[[1-(3-methylsulfonyl-2-pyridinyl)piperidin-3-yl]methyl]propan-1-amine
CID 114599581
N'-tert-butyl-N-(2-pyrrolidin-1-yl-3-pyridinyl)ethane-1,2-diamine
CID 107444893
1-(3-methylsulfonyl-2-pyridinyl)-N-propylpiperidin-3-amine
CID 114598203
N-[(1-furo[3,2-c]pyridin-4-ylpiperidin-4-yl)methyl]propan-1-amine
CID 106535576
piperidin-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294729
azepan-1-yl-[2-(propylamino)pyrimidin-4-yl]methanone
CID 109294810
4-(3-piperidin-1-ylpyrazin-2-yl)oxy-N-propylbenzamide
CID 53335585

Frequently Asked Questions

What is the IUPAC name of N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide (CID 87729472) is N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide is CCCNc1ccnc(N2CCCC2)c1C(=O)N=O.
What is the InChIKey of N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
The InChIKey is SHSMAPCTGPCSGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-2-6-14-10-5-7-15-12(11(10)13(18)16-19)17-8-3-4-9-17/h5,7H,2-4,6,8-9H2,1H3,(H,14,15).
What are the key properties of N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide?
N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 2.41, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-oxo-4-(propylamino)-2-pyrrolidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 87729472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).