N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide

C17H23N5O — CID 75507962

IUPACN-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H23N5O/c1-11-7-5-9-15(18-11)19-17(23)22-10-6-8-14(22)16-12(2)20-21(4)13(16)3/h5,7,9,14H,6,8,10H2,1-4H3,(H,18,19,23)
InChIKeyNCMFIKBPIKZPNI-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.11
Rot. Bonds2

About N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide

N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide (PubChem CID 75507962) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
PubChem CID75507962
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC NameN-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
SMILESCc1cccc(NC(=O)N2CCCC2c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H23N5O/c1-11-7-5-9-15(18-11)19-17(23)22-10-6-8-14(22)16-12(2)20-21(4)13(16)3/h5,7,9,14H,6,8,10H2,1-4H3,(H,18,19,23)
InChIKeyNCMFIKBPIKZPNI-UHFFFAOYSA-N
XLogP3.11
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-(6-methyl-2-pyridinyl)piperidine-1-carboxamide
CID 127513725
(2S)-N-phenylmethoxy-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide
CID 99134606
2-quinolin-8-yl-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978384
4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]butanoic acid
CID 122023258
(5-chloro-2-pyridinyl)-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 136526675
(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978525
2-[[acetyl(cyclopropyl)amino]methyl]-N-(6-methyl-2-pyridinyl)pyrrolidine-1-carboxamide
CID 128996529
5-phenyl-4-[[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]pentanoic acid
CID 122028391
1H-indol-6-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978425
1-benzofuran-2-yl-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978326
2-(3,5-dimethylpyrazol-1-yl)-1-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95978358
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[(2S)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95978348

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide (CID 75507962) is N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide is Cc1cccc(NC(=O)N2CCCC2c2c(C)nn(C)c2C)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
The InChIKey is NCMFIKBPIKZPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O/c1-11-7-5-9-15(18-11)19-17(23)22-10-6-8-14(22)16-12(2)20-21(4)13(16)3/h5,7,9,14H,6,8,10H2,1-4H3,(H,18,19,23).
What are the key properties of N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide?
N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 75507962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).