N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide

C24H25ClN4O2 — CID 44573293

IUPACN-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-31-21-8-7-17(15-20(21)25)23(30)28-24(18-5-3-2-4-6-18)10-13-29(14-11-24)22-16-19(26)9-12-27-22/h2-9,12,15-16H,10-11,13-14H2,1H3,(H2,26,27)(H,28,30)
InChIKeyPDEWBENUIOTOBY-UHFFFAOYSA-N
MW436.94 g/mol
LogP4.25
Rot. Bonds5

About N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide

N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide (PubChem CID 44573293) has the molecular formula C24H25ClN4O2 and a molecular weight of 436.94 g/mol. Its IUPAC name is N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide
PubChem CID44573293
Molecular FormulaC24H25ClN4O2
Molecular Weight436.94 g/mol
Exact Mass436.17
IUPAC NameN-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1Cl
InChIInChI=1S/C24H25ClN4O2/c1-31-21-8-7-17(15-20(21)25)23(30)28-24(18-5-3-2-4-6-18)10-13-29(14-11-24)22-16-19(26)9-12-27-22/h2-9,12,15-16H,10-11,13-14H2,1H3,(H2,26,27)(H,28,30)
InChIKeyPDEWBENUIOTOBY-UHFFFAOYSA-N
XLogP4.25
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.94
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-Butoxy-3-chlorophenyl)-N-[[2-(4-morpholinyl)-3-pyridinyl]methyl]-3-pyridinecarboxamide
CID 46919335
3-(2,6-Dichlorophenyl)-7-({4-[3-(diethylamino)propoxy]phenyl}amino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328725
N-{4-[(2-Chlorophenyl)(Pyrimidin-4-Yl)carbamoyl]phenyl}-4-Methoxybenzamide
CID 105539834
3-(2,6-Dichlorophenyl)-7-[(4-methoxyphenyl)amino]-1-methyl-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328715
N-(5-chloropyridin-2-yl)-4-phenoxybenzamide
CID 830775
3-chloro-N-(5-chloropyridin-2-yl)-4-methoxybenzamide
CID 3237952
N3-(4-Methoxybenzoyl)-N2-[1-(4-pyridyl)-piperidin-4-ylmethyl]-2,3-pyridinediamine
CID 9825165
2,6-dichloro-N-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-4-methoxybenzamide
CID 59618008
3-Chloro-4-(2-cyano-3-(pyrimidin-4-yl)phenoxy)-N-(2,2,6,6-tetramethyl piperidin-4-yl)benzamide
CID 69671678
3-chloro-N-(5-chloro-2-pyridinyl)-4-ethoxybenzamide
CID 3237354
(3-Chloro-4-methoxyphenyl)-[4-[[(6-pyrazol-1-yl-2-pyridinyl)methylamino]methyl]piperidin-1-yl]methanone
CID 10789215
N-(1-(4-aminopyridin-2-yl)piperidin-4-yl)-4-methoxy-N-(4-methylpyridin-2-yl)benzamide
CID 25256781

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide?
The IUPAC name of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide (CID 44573293) is N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide.
What is the SMILES notation for N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide?
The canonical SMILES for N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide is COc1ccc(C(=O)NC2(c3ccccc3)CCN(c3cc(N)ccn3)CC2)cc1Cl.
What is the InChIKey of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide?
The InChIKey is PDEWBENUIOTOBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2/c1-31-21-8-7-17(15-20(21)25)23(30)28-24(18-5-3-2-4-6-18)10-13-29(14-11-24)22-16-19(26)9-12-27-22/h2-9,12,15-16H,10-11,13-14H2,1H3,(H2,26,27)(H,28,30).
What are the key properties of N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide?
N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide has a molecular weight of 436.94 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-amino-2-pyridinyl)-4-phenylpiperidin-4-yl]-3-chloro-4-methoxybenzamide is sourced from PubChem (CID 44573293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).