(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide

C16H23N7O — CID 129331074

IUPAC(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCN(Cc1ncccn1)[C@@H]1CCN(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C16H23N7O/c1-21(13-15-17-5-2-6-18-15)14-4-10-22(12-14)16(24)19-8-11-23-9-3-7-20-23/h2-3,5-7,9,14H,4,8,10-13H2,1H3,(H,19,24)/t14-/m1/s1
InChIKeyBQVQEHNWQYCGHF-CQSZACIVSA-N
MW329.41 g/mol
LogP0.59
Rot. Bonds6

About (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide

(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide (PubChem CID 129331074) has the molecular formula C16H23N7O and a molecular weight of 329.41 g/mol. Its IUPAC name is (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
PubChem CID129331074
Molecular FormulaC16H23N7O
Molecular Weight329.41 g/mol
Exact Mass329.20
IUPAC Name(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide
SMILESCN(Cc1ncccn1)[C@@H]1CCN(C(=O)NCCn2cccn2)C1
InChIInChI=1S/C16H23N7O/c1-21(13-15-17-5-2-6-18-15)14-4-10-22(12-14)16(24)19-8-11-23-9-3-7-20-23/h2-3,5-7,9,14H,4,8,10-13H2,1H3,(H,19,24)/t14-/m1/s1
InChIKeyBQVQEHNWQYCGHF-CQSZACIVSA-N
XLogP0.59
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.41
LogP ≤ 50.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-N-(furan-3-ylmethyl)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 129339458
N-[(1-cyclopropylcyclopropyl)methyl]-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidine-1-carboxamide
CID 128999875
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-(1-propylpyrazol-4-yl)methanone
CID 128970013
1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-4-pyrrol-1-ylbutan-1-one
CID 128999819
(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 129344240
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(2-pyrazol-1-ylethyl)morpholine-4-carboxamide
CID 129341058
[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 138057617
1-(2-pyrazol-1-ylethylcarbamoyl)piperidine-3-carboxylic acid
CID 61461167
(2S)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477697
(2R)-2-hydroxy-1-[(3S)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]-2-phenylethanone
CID 129477695
3-methoxy-2-methyl-1-[3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]propan-1-one
CID 128999786
(4S)-4-methoxy-1-[(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]pyrrolidin-1-yl]pentan-1-one
CID 129477351

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide (CID 129331074) is (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide is CN(Cc1ncccn1)[C@@H]1CCN(C(=O)NCCn2cccn2)C1.
What is the InChIKey of (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide?
The InChIKey is BQVQEHNWQYCGHF-CQSZACIVSA-N. The full InChI is InChI=1S/C16H23N7O/c1-21(13-15-17-5-2-6-18-15)14-4-10-22(12-14)16(24)19-8-11-23-9-3-7-20-23/h2-3,5-7,9,14H,4,8,10-13H2,1H3,(H,19,24)/t14-/m1/s1.
What are the key properties of (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide?
(3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide has a molecular weight of 329.41 g/mol, XLogP of 0.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[methyl(pyrimidin-2-ylmethyl)amino]-N-(2-pyrazol-1-ylethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 129331074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).