2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide

C16H21FN4O2 — CID 128998901

IUPAC2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(CC1CCCN1C(=O)Nc1ccc(F)cn1)C1CC1
InChIInChI=1S/C16H21FN4O2/c1-11(22)21(13-5-6-13)10-14-3-2-8-20(14)16(23)19-15-7-4-12(17)9-18-15/h4,7,9,13-14H,2-3,5-6,8,10H2,1H3,(H,18,19,23)
InChIKeyDINVRXDLGBVNQX-UHFFFAOYSA-N
MW320.37 g/mol
LogP2.23
Rot. Bonds4

About 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide

2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 128998901) has the molecular formula C16H21FN4O2 and a molecular weight of 320.37 g/mol. Its IUPAC name is 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID128998901
Molecular FormulaC16H21FN4O2
Molecular Weight320.37 g/mol
Exact Mass320.16
IUPAC Name2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCC(=O)N(CC1CCCN1C(=O)Nc1ccc(F)cn1)C1CC1
InChIInChI=1S/C16H21FN4O2/c1-11(22)21(13-5-6-13)10-14-3-2-8-20(14)16(23)19-15-7-4-12(17)9-18-15/h4,7,9,13-14H,2-3,5-6,8,10H2,1H3,(H,18,19,23)
InChIKeyDINVRXDLGBVNQX-UHFFFAOYSA-N
XLogP2.23
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.37
LogP ≤ 52.23
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-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128996529
(2S)-2-[[acetyl(cyclopropyl)amino]methyl]-N-cyclopentylpyrrolidine-1-carboxamide
CID 129333301
N-(5-fluoro-2-pyridinyl)-4a-hydroxy-1,3,4,5,6,7,8,8a-octahydroisoquinoline-2-carboxamide
CID 86800063
8-[(dimethylamino)methyl]-N-(5-fluoro-2-pyridinyl)-6-oxa-9-azaspiro[4.5]decane-9-carboxamide
CID 127267283
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-(oxan-4-yl)pyrrolidine-1-carboxamide
CID 129343162
3-(5-fluoro-2-pyridinyl)-1-methyl-1-(1-methylpyrrolidin-3-yl)urea
CID 154764943
1-acetyl-N-(5-fluoro-2-pyridinyl)piperidine-4-carboxamide
CID 163343949
(2R)-2-[[acetyl(cyclopropyl)amino]methyl]-N-[(1-methoxycyclobutyl)methyl]pyrrolidine-1-carboxamide
CID 129334200
(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

Frequently Asked Questions

What is the IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide (CID 128998901) is 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide is CC(=O)N(CC1CCCN1C(=O)Nc1ccc(F)cn1)C1CC1.
What is the InChIKey of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is DINVRXDLGBVNQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4O2/c1-11(22)21(13-5-6-13)10-14-3-2-8-20(14)16(23)19-15-7-4-12(17)9-18-15/h4,7,9,13-14H,2-3,5-6,8,10H2,1H3,(H,18,19,23).
What are the key properties of 2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide?
2-[[acetyl(cyclopropyl)amino]methyl]-N-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 320.37 g/mol, XLogP of 2.23, 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-(5-fluoro-2-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 128998901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).