N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide

C18H23N5O2 — CID 124988775

IUPACN-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)cn1
InChIInChI=1S/C18H23N5O2/c1-13(2)16-20-9-14(10-21-16)17(24)22-11-18(25)6-8-23(12-18)15-5-3-4-7-19-15/h3-5,7,9-10,13,25H,6,8,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyOPHCKSBLKMWTEV-SFHVURJKSA-N
MW341.42 g/mol
LogP1.37
Rot. Bonds5

About N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide

N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide (PubChem CID 124988775) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
PubChem CID124988775
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
SMILESCC(C)c1ncc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)cn1
InChIInChI=1S/C18H23N5O2/c1-13(2)16-20-9-14(10-21-16)17(24)22-11-18(25)6-8-23(12-18)15-5-3-4-7-19-15/h3-5,7,9-10,13,25H,6,8,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyOPHCKSBLKMWTEV-SFHVURJKSA-N
XLogP1.37
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide
CID 124988701
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 124978910
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 124968569
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 124978863
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-1-methylpyrazole-3-carboxamide
CID 110124043
2-(dimethylamino)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]pyrimidine-5-carboxamide
CID 124977910
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-4-methylpyrimidine-5-carboxamide
CID 125017362
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]propane-1-sulfonamide
CID 124946133
2-(3,5-dimethylpyrazol-1-yl)-N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]acetamide
CID 125023156
2-(3,5-dimethylpyrazol-1-yl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]acetamide
CID 110124192
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-3-methylthiophene-2-carboxamide
CID 124997184
N-[(3-hydroxy-1-pyridin-2-ylpiperidin-3-yl)methyl]-2-methyl-3H-benzimidazole-5-carboxamide
CID 155987447

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide (CID 124988775) is N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide is CC(C)c1ncc(C(=O)NC[C@@]2(O)CCN(c3ccccn3)C2)cn1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
The InChIKey is OPHCKSBLKMWTEV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-13(2)16-20-9-14(10-21-16)17(24)22-11-18(25)6-8-23(12-18)15-5-3-4-7-19-15/h3-5,7,9-10,13,25H,6,8,11-12H2,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide?
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide has a molecular weight of 341.42 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-2-propan-2-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 124988775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).