N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide

C17H24N6O2 — CID 110124435

IUPACN-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)c1cc(N2CCC(O)(CNC(=O)c3cccn3C)C2)ncn1
InChIInChI=1S/C17H24N6O2/c1-21(2)14-9-15(20-12-19-14)23-8-6-17(25,11-23)10-18-16(24)13-5-4-7-22(13)3/h4-5,7,9,12,25H,6,8,10-11H2,1-3H3,(H,18,24)
InChIKeySPWMGENOMZBHHH-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.25
Rot. Bonds5

About N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide

N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide (PubChem CID 110124435) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
PubChem CID110124435
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC NameN-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide
SMILESCN(C)c1cc(N2CCC(O)(CNC(=O)c3cccn3C)C2)ncn1
InChIInChI=1S/C17H24N6O2/c1-21(2)14-9-15(20-12-19-14)23-8-6-17(25,11-23)10-18-16(24)13-5-4-7-22(13)3/h4-5,7,9,12,25H,6,8,10-11H2,1-3H3,(H,18,24)
InChIKeySPWMGENOMZBHHH-UHFFFAOYSA-N
XLogP0.25
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 124971244
N-[[(3R)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]pyrimidine-4-carboxamide
CID 124943360
N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1,3-thiazole-4-carboxamide
CID 110124434
N-[[(3S)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-N,1-dimethylpyrrole-2-carboxamide
CID 125003057
N-[[(3R)-3-hydroxy-1-(6-methylpyrimidin-4-yl)pyrrolidin-3-yl]methyl]-6-methylpyridine-2-carboxamide
CID 124957441
N-[(1-hydroxycyclohexyl)methyl]-1-methylpyrrole-2-carboxamide
CID 64866563
N-[[(3R)-3-hydroxy-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-3-yl]methyl]-6-methylpyridine-3-carboxamide
CID 124969188
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[[4-(3-hydroxypropoxy)phenyl]methylamino]methyl]pyrrolidin-3-ol
CID 132778278
1-[6-(dimethylamino)pyrimidin-4-yl]-3-[[methyl-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]amino]methyl]pyrrolidin-3-ol
CID 132779508
3-[[[4-[2-(dimethylamino)ethoxy]-3-methoxyphenyl]methylamino]methyl]-1-[6-(dimethylamino)pyrimidin-4-yl]pyrrolidin-3-ol
CID 132779318
N-[[(7R)-2-(6-methoxypyrimidin-4-yl)-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1-methylpyrrole-2-carboxamide
CID 124816744
(3S)-N-(cyclopropylmethyl)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-methylpiperidine-3-carboxamide
CID 124989326

Frequently Asked Questions

What is the IUPAC name of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide?
The IUPAC name of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide (CID 110124435) is N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide.
What is the SMILES notation for N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide?
The canonical SMILES for N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide is CN(C)c1cc(N2CCC(O)(CNC(=O)c3cccn3C)C2)ncn1.
What is the InChIKey of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide?
The InChIKey is SPWMGENOMZBHHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-21(2)14-9-15(20-12-19-14)23-8-6-17(25,11-23)10-18-16(24)13-5-4-7-22(13)3/h4-5,7,9,12,25H,6,8,10-11H2,1-3H3,(H,18,24).
What are the key properties of N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide?
N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypyrrolidin-3-yl]methyl]-1-methylpyrrole-2-carboxamide is sourced from PubChem (CID 110124435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).