N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide

C17H21N5O2 — CID 124957441

IUPACN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(C)n3)C2)ncn1
InChIInChI=1S/C17H21N5O2/c1-12-4-3-5-14(21-12)16(23)18-9-17(24)6-7-22(10-17)15-8-13(2)19-11-20-15/h3-5,8,11,24H,6-7,9-10H2,1-2H3,(H,18,23)/t17-/m1/s1
InChIKeyFYUFAVJGTUPLMN-QGZVFWFLSA-N
MW327.39 g/mol
LogP0.86
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide

N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide (PubChem CID 124957441) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
PubChem CID124957441
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
SMILESCc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(C)n3)C2)ncn1
InChIInChI=1S/C17H21N5O2/c1-12-4-3-5-14(21-12)16(23)18-9-17(24)6-7-22(10-17)15-8-13(2)19-11-20-15/h3-5,8,11,24H,6-7,9-10H2,1-2H3,(H,18,23)/t17-/m1/s1
InChIKeyFYUFAVJGTUPLMN-QGZVFWFLSA-N
XLogP0.86
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
CID 124964330
3-(3-fluorophenyl)-N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]propanamide
CID 110124398
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N-methylpyridazine-3-carboxamide
CID 124991567
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-2-pyridin-3-ylacetamide
CID 124941727
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(pyrrolidin-1-ylmethyl)benzamide
CID 110155359
N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124943360
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
CID 124969188
3-ethyl-N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 125001107
N-[[3-hydroxy-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]methyl]-4-(2-methylbenzimidazol-1-yl)butanamide
CID 155989790
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methylpyridine-2-carboxamide
CID 65118974
N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 110124434
(3R)-3-[[[4-methoxy-3-(2-methoxyethoxy)phenyl]methylamino]methyl]-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129458649

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide (CID 124957441) is N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide is Cc1cc(N2CC[C@@](O)(CNC(=O)c3cccc(C)n3)C2)ncn1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide?
The InChIKey is FYUFAVJGTUPLMN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-4-3-5-14(21-12)16(23)18-9-17(24)6-7-22(10-17)15-8-13(2)19-11-20-15/h3-5,8,11,24H,6-7,9-10H2,1-2H3,(H,18,23)/t17-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide?
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 124957441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).