N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide

C20H24ClN3O2 — CID 70295338

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C20H24ClN3O2/c1-26-18-6-5-14(12-23-18)19(25)24-17-7-9-20(13-22,10-8-17)15-3-2-4-16(21)11-15/h2-6,11-12,17H,7-10,13,22H2,1H3,(H,24,25)
InChIKeyNISMJEGOUMSWQT-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.31
Rot. Bonds5

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide (PubChem CID 70295338) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
PubChem CID70295338
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C20H24ClN3O2/c1-26-18-6-5-14(12-23-18)19(25)24-17-7-9-20(13-22,10-8-17)15-3-2-4-16(21)11-15/h2-6,11-12,17H,7-10,13,22H2,1H3,(H,24,25)
InChIKeyNISMJEGOUMSWQT-UHFFFAOYSA-N
XLogP3.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide (CID 70295338) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide is COc1ccc(C(=O)NC2CCC(CN)(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide?
The InChIKey is NISMJEGOUMSWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O2/c1-26-18-6-5-14(12-23-18)19(25)24-17-7-9-20(13-22,10-8-17)15-3-2-4-16(21)11-15/h2-6,11-12,17H,7-10,13,22H2,1H3,(H,24,25).
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide has a molecular weight of 373.88 g/mol, XLogP of 3.31, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide is sourced from PubChem (CID 70295338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).