2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide

C17H26N4O2 — CID 128992954

IUPAC2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(CC1CCCN1C(=O)NCCn1cccc1)C1CC1
InChIInChI=1S/C17H26N4O2/c1-14(22)21(15-6-7-15)13-16-5-4-11-20(16)17(23)18-8-12-19-9-2-3-10-19/h2-3,9-10,15-16H,4-8,11-13H2,1H3,(H,18,23)
InChIKeyPAHAQRKCCYEEIY-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.67
Rot. Bonds6

About 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide

2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 128992954) has the molecular formula C17H26N4O2 and a molecular weight of 318.42 g/mol. Its IUPAC name is 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
PubChem CID128992954
Molecular FormulaC17H26N4O2
Molecular Weight318.42 g/mol
Exact Mass318.21
IUPAC Name2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(CC1CCCN1C(=O)NCCn1cccc1)C1CC1
InChIInChI=1S/C17H26N4O2/c1-14(22)21(15-6-7-15)13-16-5-4-11-20(16)17(23)18-8-12-19-9-2-3-10-19/h2-3,9-10,15-16H,4-8,11-13H2,1H3,(H,18,23)
InChIKeyPAHAQRKCCYEEIY-UHFFFAOYSA-N
XLogP1.67
TPSA57.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
CID 129333301
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[[(3R)-oxolan-3-yl]methyl]pyrrolidine-1-carboxamide
CID 129341804
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-2-methylsulfanylpropyl]pyrrolidine-1-carboxamide
CID 129345848
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 129334200
(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
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(2S)-1-methylsulfanylpropan-2-yl]pyrrolidine-1-carboxamide
CID 129344006
3-(2-methyl-1,3-dioxolan-2-yl)-N-(2-pyrrol-1-ylethyl)piperidine-1-carboxamide
CID 75520585
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128996529
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 128996565
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-3-pyridinyl)pyrrolidine-1-carboxamide
CID 129335447

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide (CID 128992954) is 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide is CC(=O)N(CC1CCCN1C(=O)NCCn1cccc1)C1CC1.
What is the InChIKey of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is PAHAQRKCCYEEIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2/c1-14(22)21(15-6-7-15)13-16-5-4-11-20(16)17(23)18-8-12-19-9-2-3-10-19/h2-3,9-10,15-16H,4-8,11-13H2,1H3,(H,18,23).
What are the key properties of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide?
2-[[acetyl(cyclopropyl)amino]methyl]-N-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 318.42 g/mol, XLogP of 1.67, 6 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-(2-pyrrol-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128992954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).