N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride

C19H23Cl2N3O — CID 71184788

IUPACN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C19H22ClN3O.ClH/c20-16-3-1-2-15(12-16)19(13-21)8-4-17(5-9-19)23-18(24)14-6-10-22-11-7-14;/h1-3,6-7,10-12,17H,4-5,8-9,13,21H2,(H,23,24);1H
InChIKeyBCHOJNSQTNPLBN-UHFFFAOYSA-N
MW380.32 g/mol
LogP3.73
Rot. Bonds4

About N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride (PubChem CID 71184788) has the molecular formula C19H23Cl2N3O and a molecular weight of 380.32 g/mol. Its IUPAC name is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
PubChem CID71184788
Molecular FormulaC19H23Cl2N3O
Molecular Weight380.32 g/mol
Exact Mass379.12
IUPAC NameN-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride
SMILESCl.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2ccncc2)CC1
InChIInChI=1S/C19H22ClN3O.ClH/c20-16-3-1-2-15(12-16)19(13-21)8-4-17(5-9-19)23-18(24)14-6-10-22-11-7-14;/h1-3,6-7,10-12,17H,4-5,8-9,13,21H2,(H,23,24);1H
InChIKeyBCHOJNSQTNPLBN-UHFFFAOYSA-N
XLogP3.73
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.32
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridazine-3-carboxamide
CID 70296559
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-6-methoxypyridine-3-carboxamide
CID 70295338
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 70295611
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]cyclopropane-1-carboxamide;hydrochloride
CID 71184478
4-(aminomethyl)-4-(3-chlorophenyl)cyclohexan-1-amine
CID 69039976
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-2-(3-oxo-1H-isoindol-2-yl)acetamide
CID 71184437
(Z)-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-4-imino-4-piperidin-1-ylbut-2-enamide
CID 143705982
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(2-phenylethyl)acetamide;hydrochloride
CID 71184328
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-cyclopropyl-3-oxo-6-phenylpyridazine-4-carboxamide;formic acid
CID 71184753
2-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-1-(6-amino-3-pyridinyl)ethanone
CID 158880241
6-acetamido-N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]-N-(cyclopropylmethyl)pyridine-3-carboxamide;hydrochloride
CID 71184425
1-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]benzimidazole-5-carboxamide;hydrochloride
CID 140604358

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride?
The IUPAC name of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride (CID 71184788) is N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride.
What is the SMILES notation for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride?
The canonical SMILES for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride is Cl.NCC1(c2cccc(Cl)c2)CCC(NC(=O)c2ccncc2)CC1.
What is the InChIKey of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride?
The InChIKey is BCHOJNSQTNPLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN3O.ClH/c20-16-3-1-2-15(12-16)19(13-21)8-4-17(5-9-19)23-18(24)14-6-10-22-11-7-14;/h1-3,6-7,10-12,17H,4-5,8-9,13,21H2,(H,23,24);1H.
What are the key properties of N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride?
N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride has a molecular weight of 380.32 g/mol, XLogP of 3.73, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)-4-(3-chlorophenyl)cyclohexyl]pyridine-4-carboxamide;hydrochloride is sourced from PubChem (CID 71184788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).