N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

C18H23ClN4O3S — CID 119516416

IUPACN-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(N)nc2)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H22N4O3S.ClH/c1-13-5-6-14(18(23)21-15-7-8-17(19)20-12-15)11-16(13)26(24,25)22-9-3-2-4-10-22;/h5-8,11-12H,2-4,9-10H2,1H3,(H2,19,20)(H,21,23);1H
InChIKeyYUQRCGHXWPRIMJ-UHFFFAOYSA-N
MW410.93 g/mol
LogP2.82
Rot. Bonds4

About N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride

N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (PubChem CID 119516416) has the molecular formula C18H23ClN4O3S and a molecular weight of 410.93 g/mol. Its IUPAC name is N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
PubChem CID119516416
Molecular FormulaC18H23ClN4O3S
Molecular Weight410.93 g/mol
Exact Mass410.12
IUPAC NameN-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)Nc2ccc(N)nc2)cc1S(=O)(=O)N1CCCCC1.Cl
InChIInChI=1S/C18H22N4O3S.ClH/c1-13-5-6-14(18(23)21-15-7-8-17(19)20-12-15)11-16(13)26(24,25)22-9-3-2-4-10-22;/h5-8,11-12H,2-4,9-10H2,1H3,(H2,19,20)(H,21,23);1H
InChIKeyYUQRCGHXWPRIMJ-UHFFFAOYSA-N
XLogP2.82
TPSA105.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.93
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
N-(4-chlorophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 2666218
N-(3-chloro-4-methylphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059846
N-(3-iodo-4-methylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3963878
N-(5-chloro-2-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 1102150
N-(3-acetamidophenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 7914517
4-methyl-N-(4-nitrophenyl)-3-piperidin-1-ylsulfonylbenzamide
CID 2876490
N-(5-chloro-2-pyridinyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 1217132
N-(4-ethoxyphenyl)-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 19059851
3,5-dimethyl-N-(4-methyl-3-piperidin-1-ylsulfonylphenyl)benzamide
CID 24635475
N-(6-amino-3-pyridinyl)-3,4-dimethylbenzamide
CID 62899740

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The IUPAC name of N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride (CID 119516416) is N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride.
What is the SMILES notation for N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The canonical SMILES for N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is Cc1ccc(C(=O)Nc2ccc(N)nc2)cc1S(=O)(=O)N1CCCCC1.Cl.
What is the InChIKey of N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
The InChIKey is YUQRCGHXWPRIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O3S.ClH/c1-13-5-6-14(18(23)21-15-7-8-17(19)20-12-15)11-16(13)26(24,25)22-9-3-2-4-10-22;/h5-8,11-12H,2-4,9-10H2,1H3,(H2,19,20)(H,21,23);1H.
What are the key properties of N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride?
N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride has a molecular weight of 410.93 g/mol, XLogP of 2.82, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-3-pyridinyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide;hydrochloride is sourced from PubChem (CID 119516416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).