N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide

C17H21N5O2 — CID 124943331

IUPACN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1
InChIInChI=1S/C17H21N5O2/c1-13-5-3-7-18-14(13)15(23)21(2)11-17(24)6-10-22(12-17)16-19-8-4-9-20-16/h3-5,7-9,24H,6,10-12H2,1-2H3/t17-/m0/s1
InChIKeyBBSSFWCFKZPAMO-KRWDZBQOSA-N
MW327.39 g/mol
LogP0.89
Rot. Bonds4

About N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide

N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide (PubChem CID 124943331) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
PubChem CID124943331
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC NameN-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1
InChIInChI=1S/C17H21N5O2/c1-13-5-3-7-18-14(13)15(23)21(2)11-17(24)6-10-22(12-17)16-19-8-4-9-20-16/h3-5,7-9,24H,6,10-12H2,1-2H3/t17-/m0/s1
InChIKeyBBSSFWCFKZPAMO-KRWDZBQOSA-N
XLogP0.89
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide (CID 124943331) is N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide is Cc1cccnc1C(=O)N(C)C[C@@]1(O)CCN(c2ncccn2)C1.
What is the InChIKey of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
The InChIKey is BBSSFWCFKZPAMO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-13-5-3-7-18-14(13)15(23)21(2)11-17(24)6-10-22(12-17)16-19-8-4-9-20-16/h3-5,7-9,24H,6,10-12H2,1-2H3/t17-/m0/s1.
What are the key properties of N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide?
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,3-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 124943331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).