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

C17H24N4O2 — CID 128996529

IUPAC2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(CC1CCCN1C(=O)Nc1cccc(C)n1)C1CC1
InChIInChI=1S/C17H24N4O2/c1-12-5-3-7-16(18-12)19-17(23)20-10-4-6-15(20)11-21(13(2)22)14-8-9-14/h3,5,7,14-15H,4,6,8-11H2,1-2H3,(H,18,19,23)
InChIKeyDZYKJNDSUDJMEN-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.40
Rot. Bonds4

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

2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 128996529) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID128996529
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(CC1CCCN1C(=O)Nc1cccc(C)n1)C1CC1
InChIInChI=1S/C17H24N4O2/c1-12-5-3-7-16(18-12)19-17(23)20-10-4-6-15(20)11-21(13(2)22)14-8-9-14/h3,5,7,14-15H,4,6,8-11H2,1-2H3,(H,18,19,23)
InChIKeyDZYKJNDSUDJMEN-UHFFFAOYSA-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

(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 129335447
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-methyl-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 127513725
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
CID 129333301
N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 75507962
8-[(dimethylamino)methyl]-N-(6-methyl-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 127267282
2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
CID 128992954
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-1-methylsulfanylpropan-2-yl]pyrrolidine-1-carboxamide
CID 129344006
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-2-methylsulfanylpropyl]pyrrolidine-1-carboxamide
CID 129345848
N-cyclopropyl-N-[[(2R)-1-[(3-hydroxy-6-methyl-2-pyridinyl)methyl]pyrrolidin-2-yl]methyl]acetamide
CID 129474418
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 129343162

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (CID 128996529) is 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is CC(=O)N(CC1CCCN1C(=O)Nc1cccc(C)n1)C1CC1.
What is the InChIKey of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is DZYKJNDSUDJMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-12-5-3-7-16(18-12)19-17(23)20-10-4-6-15(20)11-21(13(2)22)14-8-9-14/h3,5,7,14-15H,4,6,8-11H2,1-2H3,(H,18,19,23).
What are the key properties of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-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 2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128996529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).