N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide

C25H26N4O2 — CID 71893305

IUPACN-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(28-22-8-6-7-19(17-22)18-29-15-4-1-5-16-29)20-10-12-21(13-11-20)27-25(31)23-9-2-3-14-26-23/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,27,31)(H,28,30)
InChIKeyQIORNWGZOKYUOY-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.57
Rot. Bonds6

About N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide

N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide (PubChem CID 71893305) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
PubChem CID71893305
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(NC(=O)c2ccccn2)cc1
InChIInChI=1S/C25H26N4O2/c30-24(28-22-8-6-7-19(17-22)18-29-15-4-1-5-16-29)20-10-12-21(13-11-20)27-25(31)23-9-2-3-14-26-23/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,27,31)(H,28,30)
InChIKeyQIORNWGZOKYUOY-UHFFFAOYSA-N
XLogP4.57
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-piperidin-1-yl-N-[3-(pyrrolidin-1-ylmethyl)phenyl]benzamide
CID 131945744
N-[3-(pyrrolidin-1-ylmethyl)phenyl]quinoxaline-6-carboxamide
CID 131906528
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34453463
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
1,4-dichloro-N-[3-(piperidin-1-ylmethyl)phenyl]phthalazine-6-carboxamide
CID 86620972
3-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281808
N-[3-(imidazol-1-ylmethyl)phenyl]-3-(piperidin-1-ylmethyl)benzamide
CID 155951666
2-chloro-N-[3-(piperidin-1-ylmethyl)phenyl]quinoline-6-carboxamide
CID 55849634
4-(azepan-1-ylmethyl)-N-(4-carbamoylphenyl)benzamide
CID 38105181
3-fluoro-N-[3-(piperidin-1-ylmethyl)phenyl]benzamide
CID 34455176
N-(3-fluorophenyl)-4-(pyrrolidin-1-ylmethyl)benzamide
CID 19062870
5-iodo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]thiophene-3-carboxamide
CID 78949879

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide (CID 71893305) is N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide is O=C(Nc1cccc(CN2CCCCC2)c1)c1ccc(NC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide?
The InChIKey is QIORNWGZOKYUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(28-22-8-6-7-19(17-22)18-29-15-4-1-5-16-29)20-10-12-21(13-11-20)27-25(31)23-9-2-3-14-26-23/h2-3,6-14,17H,1,4-5,15-16,18H2,(H,27,31)(H,28,30).
What are the key properties of N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide?
N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 4.57, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(piperidin-1-ylmethyl)phenyl]carbamoyl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 71893305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).