N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride

C18H23ClN4O2 — CID 119515441

IUPACN-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC(C(=O)Nc2ccc(N)nc2)C(C)C)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-11(2)16(18(24)21-14-8-9-15(19)20-10-14)22-17(23)13-6-4-12(3)5-7-13;/h4-11,16H,1-3H3,(H2,19,20)(H,21,24)(H,22,23);1H
InChIKeyLHRAVKAAHARIBJ-UHFFFAOYSA-N
MW362.86 g/mol
LogP2.79
Rot. Bonds5

About N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride

N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride (PubChem CID 119515441) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride.

Molecular Properties

Compound NameN-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
PubChem CID119515441
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride
SMILESCc1ccc(C(=O)NC(C(=O)Nc2ccc(N)nc2)C(C)C)cc1.Cl
InChIInChI=1S/C18H22N4O2.ClH/c1-11(2)16(18(24)21-14-8-9-15(19)20-10-14)22-17(23)13-6-4-12(3)5-7-13;/h4-11,16H,1-3H3,(H2,19,20)(H,21,24)(H,22,23);1H
InChIKeyLHRAVKAAHARIBJ-UHFFFAOYSA-N
XLogP2.79
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-3,5-dimethoxybenzamide;hydrochloride
CID 119516055
4-chloro-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 74292353
4-ethoxy-N-[3-methyl-1-(4-methylanilino)-1-oxobutan-2-yl]benzamide
CID 55334963
4-fluoro-N-[(2R)-1-(4-fluoroanilino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 95264771
4-methyl-N-[(2S)-3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)anilino]butan-2-yl]benzamide
CID 55943190
N-[(2S)-1-[[6-(dimethylamino)-3-pyridinyl]amino]-3-methyl-1-oxobutan-2-yl]-4-fluorobenzamide
CID 30294717
N-[2-[(6-amino-3-pyridinyl)amino]ethyl]-4-methylbenzamide
CID 82331694
N-[(2S)-1-(3-methoxyanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 2709764
4-[[(2S)-2-[(4-fluorobenzoyl)amino]-3-methylbutanoyl]amino]benzamide
CID 9255043
N-[1-(3-iodoanilino)-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 112789190
N-[1-[4-[2-(dimethylamino)-2-oxoethoxy]anilino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 55587940
[2-[(6-methoxy-3-pyridinyl)amino]-2-oxoethyl] (2R)-3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 7987092

Frequently Asked Questions

What is the IUPAC name of N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride?
The IUPAC name of N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride (CID 119515441) is N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride.
What is the SMILES notation for N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride?
The canonical SMILES for N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride is Cc1ccc(C(=O)NC(C(=O)Nc2ccc(N)nc2)C(C)C)cc1.Cl.
What is the InChIKey of N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride?
The InChIKey is LHRAVKAAHARIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2.ClH/c1-11(2)16(18(24)21-14-8-9-15(19)20-10-14)22-17(23)13-6-4-12(3)5-7-13;/h4-11,16H,1-3H3,(H2,19,20)(H,21,24)(H,22,23);1H.
What are the key properties of N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride?
N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride has a molecular weight of 362.86 g/mol, XLogP of 2.79, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(6-amino-3-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide;hydrochloride is sourced from PubChem (CID 119515441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).