N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide

C15H24N4O2 — CID 120829141

IUPACN-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCNC(C)CNC(=O)C(NC(=O)c1ccccn1)C(C)C
InChIInChI=1S/C15H24N4O2/c1-10(2)13(15(21)18-9-11(3)16-4)19-14(20)12-7-5-6-8-17-12/h5-8,10-11,13,16H,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFYEUOLVVELVDIZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.56
Rot. Bonds7

About N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide

N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide (PubChem CID 120829141) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide
PubChem CID120829141
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide
SMILESCNC(C)CNC(=O)C(NC(=O)c1ccccn1)C(C)C
InChIInChI=1S/C15H24N4O2/c1-10(2)13(15(21)18-9-11(3)16-4)19-14(20)12-7-5-6-8-17-12/h5-8,10-11,13,16H,9H2,1-4H3,(H,18,21)(H,19,20)
InChIKeyFYEUOLVVELVDIZ-UHFFFAOYSA-N
XLogP0.56
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-N-[2-(methylamino)propyl]-2-[(2-phenylacetyl)amino]butanamide
CID 120829738
3-methyl-N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]benzamide
CID 120828073
(2R,3R)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054086
(2R,3S)-3-methyl-2-(pyridine-2-carbonylamino)pentanoic acid
CID 30054092
N-(1-cyanopropan-2-yl)pyridine-2-carboxamide
CID 62090992
N-(1-hydroxybutan-2-yl)pyridine-2-carboxamide
CID 43392707
N-[(2S)-1-[[(2S,3S)-4-[[(2R)-1-amino-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]pyridine-2-carboxamide
CID 6539265
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-(1-bromobutan-2-yl)pyridine-2-carboxamide
CID 114307782
N-[(2S)-3-methyl-1-oxo-1-(pyridin-2-ylamino)butan-2-yl]benzamide
CID 970701
6-methyl-3-(pyridine-2-carbonylamino)heptanoic acid
CID 134329104
(2R)-2-acetamido-3-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 35511470

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide (CID 120829141) is N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide is CNC(C)CNC(=O)C(NC(=O)c1ccccn1)C(C)C.
What is the InChIKey of N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide?
The InChIKey is FYEUOLVVELVDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10(2)13(15(21)18-9-11(3)16-4)19-14(20)12-7-5-6-8-17-12/h5-8,10-11,13,16H,9H2,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide?
N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide has a molecular weight of 292.38 g/mol, XLogP of 0.56, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-1-[2-(methylamino)propylamino]-1-oxobutan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 120829141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).