(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

C25H27N5O3 — CID 124972936

IUPAC(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)cc1NCc1ccncc1
InChIInChI=1S/C25H27N5O3/c1-33-21-7-6-19(15-20(21)29-16-18-8-12-27-13-9-18)23(31)30-14-4-10-25(17-30,24(26)32)22-5-2-3-11-28-22/h2-3,5-9,11-13,15,29H,4,10,14,16-17H2,1H3,(H2,26,32)/t25-/m1/s1
InChIKeyKGXFXFAHWFVDJS-RUZDIDTESA-N
MW445.52 g/mol
LogP2.76
Rot. Bonds7

About (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide

(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (PubChem CID 124972936) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
PubChem CID124972936
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
SMILESCOc1ccc(C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)cc1NCc1ccncc1
InChIInChI=1S/C25H27N5O3/c1-33-21-7-6-19(15-20(21)29-16-18-8-12-27-13-9-18)23(31)30-14-4-10-25(17-30,24(26)32)22-5-2-3-11-28-22/h2-3,5-9,11-13,15,29H,4,10,14,16-17H2,1H3,(H2,26,32)/t25-/m1/s1
InChIKeyKGXFXFAHWFVDJS-RUZDIDTESA-N
XLogP2.76
TPSA110.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[4-methyl-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151825
1-[3-methoxy-4-(pyridin-2-ylmethoxy)benzoyl]-N-methyl-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151987
(3R)-N-methyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 124940051
N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 110151824
(3S)-N,N-dimethyl-1-[4-methyl-3-(pyridin-3-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125026063
[4-methoxy-3-(pyridin-3-ylmethylamino)phenyl]-[3-methyl-3-[4-methyl-6-(methylamino)pyrimidin-2-yl]piperidin-1-yl]methanone
CID 110151212
[4-(imidazo[1,2-b]pyridazin-6-ylmethyl)azepan-1-yl]-[4-methoxy-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 110150941
4-methoxy-3-(pyridin-2-ylmethylamino)benzamide
CID 43735349
(3S)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023013
(3R)-1-[3-(2-morpholin-4-ylethoxy)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide
CID 125023014
2-[2-methoxy-4-(3-methyl-3-phenylpiperidine-1-carbonyl)phenoxy]acetamide
CID 119129651
[(3S)-3-methyl-3-[2-methyl-6-(methylamino)pyrimidin-4-yl]piperidin-1-yl]-[4-methyl-3-(pyridin-4-ylmethylamino)phenyl]methanone
CID 124942852

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide (CID 124972936) is (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is COc1ccc(C(=O)N2CCC[C@](C(N)=O)(c3ccccn3)C2)cc1NCc1ccncc1.
What is the InChIKey of (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
The InChIKey is KGXFXFAHWFVDJS-RUZDIDTESA-N. The full InChI is InChI=1S/C25H27N5O3/c1-33-21-7-6-19(15-20(21)29-16-18-8-12-27-13-9-18)23(31)30-14-4-10-25(17-30,24(26)32)22-5-2-3-11-28-22/h2-3,5-9,11-13,15,29H,4,10,14,16-17H2,1H3,(H2,26,32)/t25-/m1/s1.
What are the key properties of (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide?
(3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 2.76, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-methoxy-3-(pyridin-4-ylmethylamino)benzoyl]-3-pyridin-2-ylpiperidine-3-carboxamide is sourced from PubChem (CID 124972936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).