N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide

C24H22N4O2 — CID 176846965

IUPACN-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(C=Cc3ccccn3)cc2)C1)c1cccnc1
InChIInChI=1S/C24H22N4O2/c29-23(20-4-3-13-25-16-20)27-22-12-15-28(17-22)24(30)19-9-6-18(7-10-19)8-11-21-5-1-2-14-26-21/h1-11,13-14,16,22H,12,15,17H2,(H,27,29)
InChIKeyYULPQDQJOIJWEF-UHFFFAOYSA-N
MW398.47 g/mol
LogP3.29
Rot. Bonds5

About N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide

N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 176846965) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
PubChem CID176846965
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
SMILESO=C(NC1CCN(C(=O)c2ccc(C=Cc3ccccn3)cc2)C1)c1cccnc1
InChIInChI=1S/C24H22N4O2/c29-23(20-4-3-13-25-16-20)27-22-12-15-28(17-22)24(30)19-9-6-18(7-10-19)8-11-21-5-1-2-14-26-21/h1-11,13-14,16,22H,12,15,17H2,(H,27,29)
InChIKeyYULPQDQJOIJWEF-UHFFFAOYSA-N
XLogP3.29
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-pyrrol-1-ylbenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47796919
1-[(1R,2R)-2-methylcyclopropyl]-3-[(3R)-1-(pyridine-3-carbonyl)pyrrolidin-3-yl]urea
CID 97227779
N-[1-(2-chlorobenzoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797182
N-[1-[4-(dimethylsulfamoyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47797104
pyridin-3-yl-[3-(pyridin-3-ylamino)pyrrolidin-1-yl]methanone
CID 53185338
N-[1-[4-(pyrazol-1-ylmethyl)benzoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836552
phenyl 4-(pyridine-3-carbonylamino)piperidine-1-carboxylate
CID 110821885
4-[3-(pyridine-3-carbonylamino)pyrrolidin-1-yl]benzoic acid
CID 66622606
N-cyclopentylpyridine-3-carboxamide
CID 805532
(E)-3-(4-chlorophenyl)-N-[1-(pyridine-3-carbonyl)piperidin-4-yl]prop-2-enamide
CID 108924939
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
N-(1-benzoylpiperidin-3-yl)imidazo[1,2-a]pyridine-6-carboxamide
CID 56785318

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide (CID 176846965) is N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide is O=C(NC1CCN(C(=O)c2ccc(C=Cc3ccccn3)cc2)C1)c1cccnc1.
What is the InChIKey of N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
The InChIKey is YULPQDQJOIJWEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(20-4-3-13-25-16-20)27-22-12-15-28(17-22)24(30)19-9-6-18(7-10-19)8-11-21-5-1-2-14-26-21/h1-11,13-14,16,22H,12,15,17H2,(H,27,29).
What are the key properties of N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide?
N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-pyridin-2-ylethenyl)benzoyl]pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176846965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).