N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

C18H28N4O2 — CID 131961089

IUPACN-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCc1cccnc1NC(=O)[C@@H](NC(=O)N1CCCC1)C(C)CC
InChIInChI=1S/C18H28N4O2/c1-4-13(3)15(20-18(24)22-11-6-7-12-22)17(23)21-16-14(5-2)9-8-10-19-16/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,20,24)(H,19,21,23)/t13?,15-/m0/s1
InChIKeyRLUCPAKTKZUAFA-WUJWULDRSA-N
MW332.45 g/mol
LogP2.80
Rot. Bonds6

About N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide

N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (PubChem CID 131961089) has the molecular formula C18H28N4O2 and a molecular weight of 332.45 g/mol. Its IUPAC name is N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
PubChem CID131961089
Molecular FormulaC18H28N4O2
Molecular Weight332.45 g/mol
Exact Mass332.22
IUPAC NameN-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide
SMILESCCc1cccnc1NC(=O)[C@@H](NC(=O)N1CCCC1)C(C)CC
InChIInChI=1S/C18H28N4O2/c1-4-13(3)15(20-18(24)22-11-6-7-12-22)17(23)21-16-14(5-2)9-8-10-19-16/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,20,24)(H,19,21,23)/t13?,15-/m0/s1
InChIKeyRLUCPAKTKZUAFA-WUJWULDRSA-N
XLogP2.80
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The IUPAC name of N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide (CID 131961089) is N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The canonical SMILES for N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is CCc1cccnc1NC(=O)[C@@H](NC(=O)N1CCCC1)C(C)CC.
What is the InChIKey of N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
The InChIKey is RLUCPAKTKZUAFA-WUJWULDRSA-N. The full InChI is InChI=1S/C18H28N4O2/c1-4-13(3)15(20-18(24)22-11-6-7-12-22)17(23)21-16-14(5-2)9-8-10-19-16/h8-10,13,15H,4-7,11-12H2,1-3H3,(H,20,24)(H,19,21,23)/t13?,15-/m0/s1.
What are the key properties of N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide?
N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide has a molecular weight of 332.45 g/mol, XLogP of 2.80, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(3-ethyl-2-pyridinyl)amino]-3-methyl-1-oxopentan-2-yl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 131961089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).