N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide

C18H24N6O2 — CID 146113624

IUPACN-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)ccn1
InChIInChI=1S/C18H24N6O2/c1-12-6-13(4-5-19-12)18(26)20-9-14-7-15(25)10-24(14)17-8-16(23(2)3)21-11-22-17/h4-6,8,11,14-15,25H,7,9-10H2,1-3H3,(H,20,26)/t14-,15-/m1/s1
InChIKeyBNHFXNRLGSKUCM-HUUCEWRRSA-N
MW356.43 g/mol
LogP0.62
Rot. Bonds5

About N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide

N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide (PubChem CID 146113624) has the molecular formula C18H24N6O2 and a molecular weight of 356.43 g/mol. Its IUPAC name is N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide
PubChem CID146113624
Molecular FormulaC18H24N6O2
Molecular Weight356.43 g/mol
Exact Mass356.20
IUPAC NameN-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)ccn1
InChIInChI=1S/C18H24N6O2/c1-12-6-13(4-5-19-12)18(26)20-9-14-7-15(25)10-24(14)17-8-16(23(2)3)21-11-22-17/h4-6,8,11,14-15,25H,7,9-10H2,1-3H3,(H,20,26)/t14-,15-/m1/s1
InChIKeyBNHFXNRLGSKUCM-HUUCEWRRSA-N
XLogP0.62
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
The IUPAC name of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide (CID 146113624) is N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)NC[C@H]2C[C@@H](O)CN2c2cc(N(C)C)ncn2)ccn1.
What is the InChIKey of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
The InChIKey is BNHFXNRLGSKUCM-HUUCEWRRSA-N. The full InChI is InChI=1S/C18H24N6O2/c1-12-6-13(4-5-19-12)18(26)20-9-14-7-15(25)10-24(14)17-8-16(23(2)3)21-11-22-17/h4-6,8,11,14-15,25H,7,9-10H2,1-3H3,(H,20,26)/t14-,15-/m1/s1.
What are the key properties of N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide?
N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide has a molecular weight of 356.43 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2R,4R)-1-[6-(dimethylamino)pyrimidin-4-yl]-4-hydroxypyrrolidin-2-yl]methyl]-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 146113624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).