(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide

C17H24N4O2 — CID 129335447

IUPAC(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(C[C@@H]1CCCN1C(=O)Nc1ccc(C)nc1)C1CC1
InChIInChI=1S/C17H24N4O2/c1-12-5-6-14(10-18-12)19-17(23)20-9-3-4-16(20)11-21(13(2)22)15-7-8-15/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyIQTKYRLNCGYZKV-INIZCTEOSA-N
MW316.40 g/mol
LogP2.40
Rot. Bonds4

About (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide

(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 129335447) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID129335447
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(C[C@@H]1CCCN1C(=O)Nc1ccc(C)nc1)C1CC1
InChIInChI=1S/C17H24N4O2/c1-12-5-6-14(10-18-12)19-17(23)20-9-3-4-16(20)11-21(13(2)22)15-7-8-15/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3,(H,19,23)/t16-/m0/s1
InChIKeyIQTKYRLNCGYZKV-INIZCTEOSA-N
XLogP2.40
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 128996565
2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128998901
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128996529
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
CID 129333301
5-[(2-ethylazepane-1-carbonyl)amino]pyridine-2-carboxylic acid
CID 104690906
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 129343162
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1R)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
CID 129340766
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1S)-cyclohex-2-en-1-yl]pyrrolidine-1-carboxamide
CID 129340767
2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
CID 128992954
N-(4-acetylphenyl)-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 61409053
N-[6-(dimethylamino)-3-pyridinyl]-2-(hydroxymethyl)-3-methylpiperidine-1-carboxamide
CID 71907067
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-2-methylsulfanylpropyl]pyrrolidine-1-carboxamide
CID 129345848

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide (CID 129335447) is (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide is CC(=O)N(C[C@@H]1CCCN1C(=O)Nc1ccc(C)nc1)C1CC1.
What is the InChIKey of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is IQTKYRLNCGYZKV-INIZCTEOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-5-6-14(10-18-12)19-17(23)20-9-3-4-16(20)11-21(13(2)22)15-7-8-15/h5-6,10,15-16H,3-4,7-9,11H2,1-2H3,(H,19,23)/t16-/m0/s1.
What are the key properties of (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide?
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 316.40 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129335447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).