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

C14H21N5O3 — CID 95158936

IUPAC(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(C)n1
InChIInChI=1S/C14H21N5O3/c1-9-6-5-7-11(16-9)17-12(20)8-19(4)10(2)13(21)18-14(22)15-3/h5-7,10H,8H2,1-4H3,(H,16,17,20)(H2,15,18,21,22)/t10-/m0/s1
InChIKeyUHWUBABTEGAJGD-JTQLQIEISA-N
MW307.35 g/mol
LogP0.10
Rot. Bonds5

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

(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (PubChem CID 95158936) has the molecular formula C14H21N5O3 and a molecular weight of 307.35 g/mol. Its IUPAC name is (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
PubChem CID95158936
Molecular FormulaC14H21N5O3
Molecular Weight307.35 g/mol
Exact Mass307.16
IUPAC Name(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(C)n1
InChIInChI=1S/C14H21N5O3/c1-9-6-5-7-11(16-9)17-12(20)8-19(4)10(2)13(21)18-14(22)15-3/h5-7,10H,8H2,1-4H3,(H,16,17,20)(H2,15,18,21,22)/t10-/m0/s1
InChIKeyUHWUBABTEGAJGD-JTQLQIEISA-N
XLogP0.10
TPSA103.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95157777
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 4824924
(2R)-N-(methylcarbamoyl)-2-[methyl-[2-(2-methylsulfanylanilino)-2-oxoethyl]amino]propanamide
CID 9105046
(2S)-N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
CID 95186985
N-methyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]-N-phenylpropanamide
CID 56803962
(2R)-2-[[2-(3-methoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9198346
2-[[2-(4-bromo-2-methylanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 51171679
propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 56807220
(2S)-2-[[2-(3,4-diethoxyanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 9223025
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
(2R)-N-(methylcarbamoyl)-2-[methyl-[(4-methylphenyl)methyl]amino]propanamide
CID 9024362

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (CID 95158936) is (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is CNC(=O)NC(=O)[C@H](C)N(C)CC(=O)Nc1cccc(C)n1.
What is the InChIKey of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The InChIKey is UHWUBABTEGAJGD-JTQLQIEISA-N. The full InChI is InChI=1S/C14H21N5O3/c1-9-6-5-7-11(16-9)17-12(20)8-19(4)10(2)13(21)18-14(22)15-3/h5-7,10H,8H2,1-4H3,(H,16,17,20)(H2,15,18,21,22)/t10-/m0/s1.
What are the key properties of (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide has a molecular weight of 307.35 g/mol, XLogP of 0.10, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 95158936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).