4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide

C18H20N4O2 — CID 133468482

IUPAC4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C18H20N4O2/c19-18(24)15-12-20-9-8-16(15)21-11-13-4-6-14(7-5-13)22-10-2-1-3-17(22)23/h4-9,12H,1-3,10-11H2,(H2,19,24)(H,20,21)
InChIKeyWXJBXACIEHZQAM-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.31
Rot. Bonds5

About 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide

4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide (PubChem CID 133468482) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide
PubChem CID133468482
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide
SMILESNC(=O)c1cnccc1NCc1ccc(N2CCCCC2=O)cc1
InChIInChI=1S/C18H20N4O2/c19-18(24)15-12-20-9-8-16(15)21-11-13-4-6-14(7-5-13)22-10-2-1-3-17(22)23/h4-9,12H,1-3,10-11H2,(H2,19,24)(H,20,21)
InChIKeyWXJBXACIEHZQAM-UHFFFAOYSA-N
XLogP2.31
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 166241121
1-[4-[(2-acetyl-3-fluoroanilino)methyl]phenyl]piperidin-2-one
CID 47981818
1-[4-[[(5-acetyl-4-methylpyrimidin-2-yl)amino]methyl]phenyl]pyrrolidin-2-one
CID 137344435
2-(4-aminophenyl)-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]acetamide;hydrochloride
CID 119749209
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133442800
5-hydroxy-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 75370768
1-[4-(pyrimidin-5-ylmethylamino)phenyl]pyrrolidin-2-one
CID 62758405
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]-2-phenylacetamide
CID 70004760
1-[4-[(1,4,5,6-tetrahydropyrimidin-2-ylamino)methyl]phenyl]pyrrolidin-2-one
CID 110914080
1-[[4-[[(3-chloro-4-pyridinyl)amino]methyl]phenyl]methyl]pyrrolidin-2-one
CID 133351782
1-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]urea
CID 36521056

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide (CID 133468482) is 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide is NC(=O)c1cnccc1NCc1ccc(N2CCCCC2=O)cc1.
What is the InChIKey of 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
The InChIKey is WXJBXACIEHZQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c19-18(24)15-12-20-9-8-16(15)21-11-13-4-6-14(7-5-13)22-10-2-1-3-17(22)23/h4-9,12H,1-3,10-11H2,(H2,19,24)(H,20,21).
What are the key properties of 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide?
4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide has a molecular weight of 324.38 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133468482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).