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

C17H22N6O2 — CID 124969188

IUPACN-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCNc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C)nc3)C2)ncn1
InChIInChI=1S/C17H22N6O2/c1-12-3-4-13(8-19-12)16(24)20-9-17(25)5-6-23(10-17)15-7-14(18-2)21-11-22-15/h3-4,7-8,11,25H,5-6,9-10H2,1-2H3,(H,20,24)(H,18,21,22)/t17-/m1/s1
InChIKeyJGXWQHIIDRNISK-QGZVFWFLSA-N
MW342.40 g/mol
LogP0.59
Rot. Bonds5

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

N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide (PubChem CID 124969188) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
PubChem CID124969188
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
SMILESCNc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C)nc3)C2)ncn1
InChIInChI=1S/C17H22N6O2/c1-12-3-4-13(8-19-12)16(24)20-9-17(25)5-6-23(10-17)15-7-14(18-2)21-11-22-15/h3-4,7-8,11,25H,5-6,9-10H2,1-2H3,(H,20,24)(H,18,21,22)/t17-/m1/s1
InChIKeyJGXWQHIIDRNISK-QGZVFWFLSA-N
XLogP0.59
TPSA103.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide (CID 124969188) is N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide is CNc1cc(N2CC[C@@](O)(CNC(=O)c3ccc(C)nc3)C2)ncn1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
The InChIKey is JGXWQHIIDRNISK-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-12-3-4-13(8-19-12)16(24)20-9-17(25)5-6-23(10-17)15-7-14(18-2)21-11-22-15/h3-4,7-8,11,25H,5-6,9-10H2,1-2H3,(H,20,24)(H,18,21,22)/t17-/m1/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide?
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 0.59, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 124969188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).