3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide

C18H22N4O2 — CID 126446674

IUPAC3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
SMILESCNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2cnccc2N)c1
InChIInChI=1S/C18H22N4O2/c1-12(9-17(23)20-2)22(3)18(24)14-6-4-5-13(10-14)15-11-21-8-7-16(15)19/h4-8,10-12H,9H2,1-3H3,(H2,19,21)(H,20,23)/t12-/m0/s1
InChIKeyPDLXRJNZIXPWAW-LBPRGKRZSA-N
MW326.40 g/mol
LogP1.93
Rot. Bonds5

About 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide

3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide (PubChem CID 126446674) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide.

Molecular Properties

Compound Name3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
PubChem CID126446674
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
SMILESCNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2cnccc2N)c1
InChIInChI=1S/C18H22N4O2/c1-12(9-17(23)20-2)22(3)18(24)14-6-4-5-13(10-14)15-11-21-8-7-16(15)19/h4-8,10-12H,9H2,1-3H3,(H2,19,21)(H,20,23)/t12-/m0/s1
InChIKeyPDLXRJNZIXPWAW-LBPRGKRZSA-N
XLogP1.93
TPSA88.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[3-[methyl-[4-(methylamino)-4-oxobutan-2-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 119061866
4-(4-aminopyrimidin-2-yl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125436967
3-(3-hydroxy-3-methylbutyl)-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 95872964
3-[[3-(1H-imidazol-5-yl)phenyl]carbamoyl-methylamino]-N-methylbutanamide
CID 118774173
4-amino-N-(1-hydroxypropan-2-yl)-N-methylpyridine-3-carboxamide
CID 104554326
3-(3-methoxypyrazin-2-yl)-N-methyl-N-(1-pyrazin-2-ylpropan-2-yl)benzamide
CID 118772615
1-ethyl-N-methyl-N-[(2R)-4-(methylamino)-4-oxobutan-2-yl]indole-5-carboxamide
CID 95548821
4-(3-aminopropoxy)-3-chloro-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide
CID 125155803
N-(1-hydroxypropan-2-yl)-N-methyl-3-(2-methyl-1,3-thiazol-4-yl)benzamide
CID 109388507
(3R)-N-methyl-3-[methyl(pyridin-4-ylmethyl)amino]butanamide
CID 95131612
3-[4-(chloromethyl)-1,3-thiazol-2-yl]-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 104553239
N-methyl-3-(4-methyl-2-pyridinyl)-N-[(2S)-1-(4-methyl-2-pyridinyl)propan-2-yl]benzamide
CID 126443393

Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The IUPAC name of 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide (CID 126446674) is 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide.
What is the SMILES notation for 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The canonical SMILES for 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide is CNC(=O)C[C@H](C)N(C)C(=O)c1cccc(-c2cnccc2N)c1.
What is the InChIKey of 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
The InChIKey is PDLXRJNZIXPWAW-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-12(9-17(23)20-2)22(3)18(24)14-6-4-5-13(10-14)15-11-21-8-7-16(15)19/h4-8,10-12H,9H2,1-3H3,(H2,19,21)(H,20,23)/t12-/m0/s1.
What are the key properties of 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide?
3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide has a molecular weight of 326.40 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-pyridinyl)-N-methyl-N-[(2S)-4-(methylamino)-4-oxobutan-2-yl]benzamide is sourced from PubChem (CID 126446674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).