(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide

C13H19N5O3 — CID 95157777

IUPAC(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NC(N)=O)n1
InChIInChI=1S/C13H19N5O3/c1-8-5-4-6-10(15-8)16-11(19)7-18(3)9(2)12(20)17-13(14)21/h4-6,9H,7H2,1-3H3,(H,15,16,19)(H3,14,17,20,21)/t9-/m1/s1
InChIKeyLIJKBBVAXHZDFU-SECBINFHSA-N
MW293.33 g/mol
LogP-0.16
Rot. Bonds5

About (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide

(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (PubChem CID 95157777) has the molecular formula C13H19N5O3 and a molecular weight of 293.33 g/mol. Its IUPAC name is (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.

Molecular Properties

Compound Name(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
PubChem CID95157777
Molecular FormulaC13H19N5O3
Molecular Weight293.33 g/mol
Exact Mass293.15
IUPAC Name(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
SMILESCc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NC(N)=O)n1
InChIInChI=1S/C13H19N5O3/c1-8-5-4-6-10(15-8)16-11(19)7-18(3)9(2)12(20)17-13(14)21/h4-6,9H,7H2,1-3H3,(H,15,16,19)(H3,14,17,20,21)/t9-/m1/s1
InChIKeyLIJKBBVAXHZDFU-SECBINFHSA-N
XLogP-0.16
TPSA117.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(methylcarbamoyl)-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide
CID 95158936
(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
propan-2-yl 3-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanoate
CID 56807220
2-amino-N-(6-methyl-2-pyridinyl)propanamide
CID 60731757
2-ethyl-N-(6-methyl-2-pyridinyl)butanamide
CID 5060766
N'-(6-methyl-2-pyridinyl)butanediamide
CID 91273300
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
(2S)-2-amino-3-methyl-N-(6-methyl-2-pyridinyl)butanamide
CID 22689866
(2R)-N-carbamoyl-2-[[2-[4-chloro-3-(trifluoromethyl)anilino]-2-oxoethyl]-methylamino]propanamide
CID 38349898
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-(methylcarbamoyl)propanamide
CID 4824924
5-amino-N-(6-methyl-2-pyridinyl)hexanamide
CID 82849039

Frequently Asked Questions

What is the IUPAC name of (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The IUPAC name of (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide (CID 95157777) is (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide.
What is the SMILES notation for (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The canonical SMILES for (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is Cc1cccc(NC(=O)CN(C)[C@H](C)C(=O)NC(N)=O)n1.
What is the InChIKey of (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
The InChIKey is LIJKBBVAXHZDFU-SECBINFHSA-N. The full InChI is InChI=1S/C13H19N5O3/c1-8-5-4-6-10(15-8)16-11(19)7-18(3)9(2)12(20)17-13(14)21/h4-6,9H,7H2,1-3H3,(H,15,16,19)(H3,14,17,20,21)/t9-/m1/s1.
What are the key properties of (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide?
(2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide has a molecular weight of 293.33 g/mol, XLogP of -0.16, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-carbamoyl-2-[methyl-[2-[(6-methyl-2-pyridinyl)amino]-2-oxoethyl]amino]propanamide is sourced from PubChem (CID 95157777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).