[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H27N5O — CID 95309232

IUPAC[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1
InChIInChI=1S/C19H27N5O/c1-14(2)12-22(3)18-8-7-15(10-20-18)19(25)24-9-5-6-17(24)16-11-21-23(4)13-16/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3/t17-/m1/s1
InChIKeyHGRXLANJDZRJOY-QGZVFWFLSA-N
MW341.46 g/mol
LogP2.88
Rot. Bonds5

About [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 95309232) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID95309232
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCC(C)CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1
InChIInChI=1S/C19H27N5O/c1-14(2)12-22(3)18-8-7-15(10-20-18)19(25)24-9-5-6-17(24)16-11-21-23(4)13-16/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3/t17-/m1/s1
InChIKeyHGRXLANJDZRJOY-QGZVFWFLSA-N
XLogP2.88
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-2-pyridinyl)-methylamino]-1-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]ethanone
CID 95315279
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-morpholin-4-yl-3-pyridinyl)methanone
CID 56825013
N-[[4-[2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 56825059
[4-(methoxymethyl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95322352
N-[[4-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]phenyl]methyl]acetamide
CID 95569536
[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(4-methylsulfonylphenyl)methanone
CID 56801188
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 95569418
[4-(5-methylpyrazol-1-yl)phenyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95309281
1H-indol-6-yl-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95340715
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(3-methyl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanone
CID 95977725
(5-bromofuran-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 56824993
2-methyl-1-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 56824974

Frequently Asked Questions

What is the IUPAC name of [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 95309232) is [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is CC(C)CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)cn1.
What is the InChIKey of [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is HGRXLANJDZRJOY-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H27N5O/c1-14(2)12-22(3)18-8-7-15(10-20-18)19(25)24-9-5-6-17(24)16-11-21-23(4)13-16/h7-8,10-11,13-14,17H,5-6,9,12H2,1-4H3/t17-/m1/s1.
What are the key properties of [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
[6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 341.46 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[methyl(2-methylpropyl)amino]-3-pyridinyl]-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 95309232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).