(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide

C19H24N4O2 — CID 95186985

IUPAC(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
SMILESCc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-14-9-8-12-17(20-14)21-18(24)13-22(3)15(2)19(25)23(4)16-10-6-5-7-11-16/h5-12,15H,13H2,1-4H3,(H,20,21,24)/t15-/m0/s1
InChIKeyAWXBUSDWMXNFDH-HNNXBMFYSA-N
MW340.43 g/mol
LogP2.31
Rot. Bonds6

About (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide

(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide (PubChem CID 95186985) has the molecular formula C19H24N4O2 and a molecular weight of 340.43 g/mol. Its IUPAC name is (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide.

Molecular Properties

Compound Name(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
PubChem CID95186985
Molecular FormulaC19H24N4O2
Molecular Weight340.43 g/mol
Exact Mass340.19
IUPAC Name(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
SMILESCc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N(C)c2ccccc2)n1
InChIInChI=1S/C19H24N4O2/c1-14-9-8-12-17(20-14)21-18(24)13-22(3)15(2)19(25)23(4)16-10-6-5-7-11-16/h5-12,15H,13H2,1-4H3,(H,20,21,24)/t15-/m0/s1
InChIKeyAWXBUSDWMXNFDH-HNNXBMFYSA-N
XLogP2.31
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
CID 56803962
(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95157777
(2R)-N-methyl-2-[methyl-[2-oxo-2-(propan-2-ylamino)ethyl]amino]-N-phenylpropanamide
CID 9049639
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95158936
propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 56807220
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-(6-methyl-2-pyridinyl)-2-phenylpropanamide
CID 70678328
N-methyl-N-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]-5-propan-2-ylthiophene-2-carboxamide
CID 75506600
(2S)-N-benzyl-2-[[2-(2,6-dimethylanilino)-2-oxoethyl]-methylamino]-N-ethylpropanamide
CID 9221814
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
(2R)-2-[[2-(2-chloroanilino)-2-oxoethyl]-methylamino]-N-ethyl-N-phenylpropanamide
CID 8842834
ethane;N-(6-methyl-2-pyridinyl)butanamide
CID 143608787

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide?
The IUPAC name of (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide (CID 95186985) is (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide.
What is the SMILES notation for (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide?
The canonical SMILES for (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide is Cc1cccc(NC(=O)CN(C)[C@@H](C)C(=O)N(C)c2ccccc2)n1.
What is the InChIKey of (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide?
The InChIKey is AWXBUSDWMXNFDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H24N4O2/c1-14-9-8-12-17(20-14)21-18(24)13-22(3)15(2)19(25)23(4)16-10-6-5-7-11-16/h5-12,15H,13H2,1-4H3,(H,20,21,24)/t15-/m0/s1.
What are the key properties of (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide?
(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide has a molecular weight of 340.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide is sourced from PubChem (CID 95186985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).