N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide

C17H20ClN3O2S — CID 47079681

IUPACN-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1ccncc1)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C17H20ClN3O2S/c1-10(2)15(21-16(22)12-6-8-19-9-7-12)17(23)20-11(3)13-4-5-14(18)24-13/h4-11,15H,1-3H3,(H,20,23)(H,21,22)
InChIKeyMPJXOISLWHDYIB-UHFFFAOYSA-N
MW365.89 g/mol
LogP3.43
Rot. Bonds6

About N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide

N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide (PubChem CID 47079681) has the molecular formula C17H20ClN3O2S and a molecular weight of 365.89 g/mol. Its IUPAC name is N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
PubChem CID47079681
Molecular FormulaC17H20ClN3O2S
Molecular Weight365.89 g/mol
Exact Mass365.10
IUPAC NameN-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
SMILESCC(NC(=O)C(NC(=O)c1ccncc1)C(C)C)c1ccc(Cl)s1
InChIInChI=1S/C17H20ClN3O2S/c1-10(2)15(21-16(22)12-6-8-19-9-7-12)17(23)20-11(3)13-4-5-14(18)24-13/h4-11,15H,1-3H3,(H,20,23)(H,21,22)
InChIKeyMPJXOISLWHDYIB-UHFFFAOYSA-N
XLogP3.43
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.89
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
CID 67387222
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2-bromo-N-[1-(5-chlorothiophen-2-yl)ethyl]propanamide
CID 107903709
N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
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(2R)-2-amino-N-[1-(5-chlorothiophen-2-yl)ethyl]-3,3-dimethylbutanamide
CID 103928730
N-[(1R)-1-(5-chlorothiophen-2-yl)ethyl]acetamide
CID 131207227
N-[(2S)-3-methyl-1-[[4-[[[(2R)-3-methyl-2-(pyridine-4-carbonylamino)butanoyl]amino]methyl]phenyl]methylamino]-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 90148624
N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]furan-3-carboxamide
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methyl N-[1-(5-chlorothiophen-2-yl)ethyl]carbamate
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N-[1-(5-chlorothiophen-2-yl)ethyl]-4-[(prop-2-enoylamino)methyl]benzamide
CID 86825465
2-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methylbutanamide
CID 103875860

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide (CID 47079681) is N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide is CC(NC(=O)C(NC(=O)c1ccncc1)C(C)C)c1ccc(Cl)s1.
What is the InChIKey of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
The InChIKey is MPJXOISLWHDYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2S/c1-10(2)15(21-16(22)12-6-8-19-9-7-12)17(23)20-11(3)13-4-5-14(18)24-13/h4-11,15H,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide?
N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide has a molecular weight of 365.89 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 47079681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).