2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide

C18H20N4O3 — CID 167859929

IUPAC2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide
SMILESCc1ncccc1NC(=O)[C@H](C)NC(=O)c1cccc(C(N)=O)c1C
InChIInChI=1S/C18H20N4O3/c1-10-13(16(19)23)6-4-7-14(10)18(25)21-12(3)17(24)22-15-8-5-9-20-11(15)2/h4-9,12H,1-3H3,(H2,19,23)(H,21,25)(H,22,24)/t12-/m0/s1
InChIKeyFUBDFRRRVIFZEJ-LBPRGKRZSA-N
MW340.38 g/mol
LogP1.55
Rot. Bonds5

About 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide

2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide (PubChem CID 167859929) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide.

Molecular Properties

Compound Name2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide
PubChem CID167859929
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide
SMILESCc1ncccc1NC(=O)[C@H](C)NC(=O)c1cccc(C(N)=O)c1C
InChIInChI=1S/C18H20N4O3/c1-10-13(16(19)23)6-4-7-14(10)18(25)21-12(3)17(24)22-15-8-5-9-20-11(15)2/h4-9,12H,1-3H3,(H2,19,23)(H,21,25)(H,22,24)/t12-/m0/s1
InChIKeyFUBDFRRRVIFZEJ-LBPRGKRZSA-N
XLogP1.55
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide with MolForge

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Related Compounds

N-[1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzamide
CID 134351059
3-hydroxy-2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 82829673
2-methyl-N-(2-methyl-3-pyridinyl)benzamide
CID 71985815
(2R)-2-amino-4-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 104903679
3-[2-(carbamoylamino)propanoylamino]-2-methylbenzoic acid
CID 62948566
(2R)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide
CID 103930147
2-amino-3-methyl-N-(2-methyl-3-pyridinyl)pentanamide
CID 79043807
3-amino-N-(2-methyl-3-pyridinyl)-3-sulfanylidenepropanamide
CID 79043985
4-(3-carbamoyl-2-methylanilino)-2,3-dimethyl-4-oxobutanoic acid
CID 103497085
(2S)-2-amino-3,3-dimethyl-N-(2-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119844518
3-amino-2-bromo-N-(2-methyl-3-pyridinyl)benzamide
CID 113367036
2-cyano-3-methyl-N-(2-methyl-3-pyridinyl)butanamide
CID 79043382

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide?
The IUPAC name of 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide (CID 167859929) is 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide.
What is the SMILES notation for 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide?
The canonical SMILES for 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide is Cc1ncccc1NC(=O)[C@H](C)NC(=O)c1cccc(C(N)=O)c1C.
What is the InChIKey of 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide?
The InChIKey is FUBDFRRRVIFZEJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-13(16(19)23)6-4-7-14(10)18(25)21-12(3)17(24)22-15-8-5-9-20-11(15)2/h4-9,12H,1-3H3,(H2,19,23)(H,21,25)(H,22,24)/t12-/m0/s1.
What are the key properties of 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide?
2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-N-[(2S)-1-[(2-methyl-3-pyridinyl)amino]-1-oxopropan-2-yl]benzene-1,3-dicarboxamide is sourced from PubChem (CID 167859929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).