N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

C21H23F2N3O — CID 102560985

IUPACN-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NCC2(c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C21H23F2N3O/c1-14-5-2-8-17(25-14)18-9-4-12-26(18)20(27)24-13-21(10-11-21)19-15(22)6-3-7-16(19)23/h2-3,5-8,18H,4,9-13H2,1H3,(H,24,27)
InChIKeyMVULMSGJFFZFDI-UHFFFAOYSA-N
MW371.43 g/mol
LogP4.25
Rot. Bonds4

About N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide

N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (PubChem CID 102560985) has the molecular formula C21H23F2N3O and a molecular weight of 371.43 g/mol. Its IUPAC name is N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
PubChem CID102560985
Molecular FormulaC21H23F2N3O
Molecular Weight371.43 g/mol
Exact Mass371.18
IUPAC NameN-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
SMILESCc1cccc(C2CCCN2C(=O)NCC2(c3c(F)cccc3F)CC2)n1
InChIInChI=1S/C21H23F2N3O/c1-14-5-2-8-17(25-14)18-9-4-12-26(18)20(27)24-13-21(10-11-21)19-15(22)6-3-7-16(19)23/h2-3,5-8,18H,4,9-13H2,1H3,(H,24,27)
InChIKeyMVULMSGJFFZFDI-UHFFFAOYSA-N
XLogP4.25
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 139004178
1-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]ethanone
CID 102538999
cyclobutyl-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]methanone
CID 95817448
N-propyl-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 47386252
N-(2-cyclopropyloxan-4-yl)-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 102554000
2-(6-methyl-1H-benzimidazol-2-yl)-N-[(1-phenylcyclopropyl)methyl]pyrrolidine-1-carboxamide
CID 139000386
1-methyl-3-[3-[2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]-3-oxopropyl]benzimidazol-2-one
CID 136515688
N-[[1-(3-methoxyphenyl)cyclopropyl]methyl]-2-pyridin-3-ylpyrrolidine-1-carboxamide
CID 139004180
1-(cyclopropylmethyl)-3-[[1-(2,6-difluorophenyl)cyclopentyl]methyl]-1-methylurea
CID 86875302
methyl (2R)-2-fluoro-3-[(2S)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]propanoate
CID 124863514
(2S)-N-(3-methoxypropyl)-N-methyl-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 99831648
N,N-dimethyl-2-[(2R)-2-(6-methyl-2-pyridinyl)pyrrolidin-1-yl]acetamide
CID 95817458

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The IUPAC name of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide (CID 102560985) is N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is Cc1cccc(C2CCCN2C(=O)NCC2(c3c(F)cccc3F)CC2)n1.
What is the InChIKey of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
The InChIKey is MVULMSGJFFZFDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F2N3O/c1-14-5-2-8-17(25-14)18-9-4-12-26(18)20(27)24-13-21(10-11-21)19-15(22)6-3-7-16(19)23/h2-3,5-8,18H,4,9-13H2,1H3,(H,24,27).
What are the key properties of N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide?
N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-difluorophenyl)cyclopropyl]methyl]-2-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 102560985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).