4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide

C18H20N4O2 — CID 123139569

IUPAC4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide
SMILESCCC(=O)Nc1cc(NC2(c3ccccc3)CC2)c(C(N)=O)cn1
InChIInChI=1S/C18H20N4O2/c1-2-16(23)21-15-10-14(13(11-20-15)17(19)24)22-18(8-9-18)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyGSZONRKTYFZDLX-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.63
Rot. Bonds6

About 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide

4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide (PubChem CID 123139569) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide
PubChem CID123139569
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide
SMILESCCC(=O)Nc1cc(NC2(c3ccccc3)CC2)c(C(N)=O)cn1
InChIInChI=1S/C18H20N4O2/c1-2-16(23)21-15-10-14(13(11-20-15)17(19)24)22-18(8-9-18)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H2,19,24)(H2,20,21,22,23)
InChIKeyGSZONRKTYFZDLX-UHFFFAOYSA-N
XLogP2.63
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-phenylcyclopropyl)propanamide
CID 110441332
2-[(1-phenylcyclopropyl)amino]benzoic acid
CID 82538368
4-(3-carbamoyl-2-methoxyanilino)-6-(cyclopropanecarbonylamino)-N-ethylpyridine-3-carboxamide
CID 170281200
ethyl 2-[(1-phenylcyclopropyl)amino]pyrimidine-5-carboxylate;molecular hydrogen
CID 145295764
6-(cyclopropanecarbonylamino)-4-(4-diethylphosphanyl-2-methoxyanilino)pyridine-3-carboxamide
CID 170719834
6-[(5-carbamoyl-2-pyridinyl)amino]-4-(2-ethylanilino)pyridine-3-carboxamide
CID 175501425
5-ethyl-6-[(4-fluoro-1-phenyl-4-propylcyclohexyl)amino]-N-hydroxypyridine-3-carboxamide
CID 123600486
4-(benzylamino)-6-[4-(propan-2-ylcarbamoylamino)anilino]pyridine-3-carboxamide
CID 67423689
N-[4-methyl-6-(propanoylamino)-3-pyridinyl]cyclopropanecarboxamide
CID 1452755
N,N'-bis(1-phenylcyclopropyl)propanediamide
CID 166301287
N-[3-[2-[4-[(1-phenylcyclopropyl)amino]pyridine-3-carbonyl]hydrazinyl]phenyl]acetamide
CID 123325435
N-[6-(benzylamino)-3-pyridinyl]propanamide
CID 110178661

Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide?
The IUPAC name of 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide (CID 123139569) is 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide.
What is the SMILES notation for 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide?
The canonical SMILES for 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide is CCC(=O)Nc1cc(NC2(c3ccccc3)CC2)c(C(N)=O)cn1.
What is the InChIKey of 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide?
The InChIKey is GSZONRKTYFZDLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-2-16(23)21-15-10-14(13(11-20-15)17(19)24)22-18(8-9-18)12-6-4-3-5-7-12/h3-7,10-11H,2,8-9H2,1H3,(H2,19,24)(H2,20,21,22,23).
What are the key properties of 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide?
4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.63, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylcyclopropyl)amino]-6-(propanoylamino)pyridine-3-carboxamide is sourced from PubChem (CID 123139569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).