N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide

C17H18N4O3 — CID 67387222

IUPACN-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1)C(=O)NC(=O)c1ccncc1
InChIInChI=1S/C17H18N4O3/c1-11(2)14(20-15(22)12-3-7-18-8-4-12)17(24)21-16(23)13-5-9-19-10-6-13/h3-11,14H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyHXHQTWWRWNIEFJ-UHFFFAOYSA-N
MW326.36 g/mol
LogP1.19
Rot. Bonds5

About N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide

N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide (PubChem CID 67387222) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
PubChem CID67387222
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC NameN-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide
SMILESCC(C)C(NC(=O)c1ccncc1)C(=O)NC(=O)c1ccncc1
InChIInChI=1S/C17H18N4O3/c1-11(2)14(20-15(22)12-3-7-18-8-4-12)17(24)21-16(23)13-5-9-19-10-6-13/h3-11,14H,1-2H3,(H,20,22)(H,21,23,24)
InChIKeyHXHQTWWRWNIEFJ-UHFFFAOYSA-N
XLogP1.19
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(ethylamino)-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 130272140
N-(1-amino-3-methyl-1-oxobutan-2-yl)pyridine-4-carboxamide
CID 77389901
N-[3-methyl-2-[12-[[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]amino]dodecylamino]butanoyl]pyridine-4-carboxamide
CID 123670207
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-[1-[1-(5-chlorothiophen-2-yl)ethylamino]-3-methyl-1-oxobutan-2-yl]pyridine-4-carboxamide
CID 47079681
N-[2-[14-[[1-oxo-1-(pyridine-4-carbonylamino)propan-2-yl]amino]tetradecylamino]propanoyl]pyridine-4-carboxamide
CID 123825309
N-(5-methylhexan-2-yl)pyridine-4-carboxamide
CID 42890124
methyl (2S,3S)-3-methyl-2-(pyridine-4-carbonylamino)pent-4-enoate
CID 97256624
methyl (2R,3S)-3-methyl-2-(pyridine-4-carbonylamino)pent-4-enoate
CID 97256626
N-pentan-3-ylpyridine-4-carboxamide
CID 137320352
N-(4-chlorobutan-2-yl)pyridine-4-carboxamide
CID 83178432
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide?
The IUPAC name of N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide (CID 67387222) is N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide is CC(C)C(NC(=O)c1ccncc1)C(=O)NC(=O)c1ccncc1.
What is the InChIKey of N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide?
The InChIKey is HXHQTWWRWNIEFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c1-11(2)14(20-15(22)12-3-7-18-8-4-12)17(24)21-16(23)13-5-9-19-10-6-13/h3-11,14H,1-2H3,(H,20,22)(H,21,23,24).
What are the key properties of N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide?
N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide has a molecular weight of 326.36 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-oxo-1-(pyridine-4-carbonylamino)butan-2-yl]pyridine-4-carboxamide is sourced from PubChem (CID 67387222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).