N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide

C18H26N6O2 — CID 124965364

IUPACN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C18H26N6O2/c1-3-10-24-12-6-15(21-24)16(25)22(2)13-18(26)7-4-11-23(14-18)17-19-8-5-9-20-17/h5-6,8-9,12,26H,3-4,7,10-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyIEIZFYZXEOXEDW-GOSISDBHSA-N
MW358.45 g/mol
LogP1.19
Rot. Bonds6

About N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide (PubChem CID 124965364) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
PubChem CID124965364
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC NameN-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
SMILESCCCn1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)n1
InChIInChI=1S/C18H26N6O2/c1-3-10-24-12-6-15(21-24)16(25)22(2)13-18(26)7-4-11-23(14-18)17-19-8-5-9-20-17/h5-6,8-9,12,26H,3-4,7,10-11,13-14H2,1-2H3/t18-/m1/s1
InChIKeyIEIZFYZXEOXEDW-GOSISDBHSA-N
XLogP1.19
TPSA87.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124957215
N-[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide
CID 124965660
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-4-carboxamide
CID 110123706
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 110123702
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,1-dimethylpyrazole-3-carboxamide
CID 110123503
N-[[(3S)-3-hydroxy-1-pyridin-2-ylpiperidin-3-yl]methyl]-N,1-dimethylimidazole-4-carboxamide
CID 125025521
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carboxamide
CID 110123631
N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpyrrolidin-3-yl]methyl]-N,2-dimethyl-1,3-oxazole-4-carboxamide
CID 124944697
2-(4-fluorophenyl)-N-[[(3R)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methylacetamide
CID 124987350
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-thiophen-2-ylacetamide
CID 110123597
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 124980570
N-[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl]-N-methyl-2-morpholin-4-ylacetamide
CID 110123611

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
The IUPAC name of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide (CID 124965364) is N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide.
What is the SMILES notation for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
The canonical SMILES for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide is CCCn1ccc(C(=O)N(C)C[C@]2(O)CCCN(c3ncccn3)C2)n1.
What is the InChIKey of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
The InChIKey is IEIZFYZXEOXEDW-GOSISDBHSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-3-10-24-12-6-15(21-24)16(25)22(2)13-18(26)7-4-11-23(14-18)17-19-8-5-9-20-17/h5-6,8-9,12,26H,3-4,7,10-11,13-14H2,1-2H3/t18-/m1/s1.
What are the key properties of N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide?
N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide has a molecular weight of 358.45 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl]methyl]-N-methyl-1-propylpyrazole-3-carboxamide is sourced from PubChem (CID 124965364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).