N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide

C18H23N3O2 — CID 111662357

IUPACN-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H23N3O2/c1-2-6-14(9-10-22)11-21-18(23)16-12-19-17(20-13-16)15-7-4-3-5-8-15/h3-5,7-8,12-14,22H,2,6,9-11H2,1H3,(H,21,23)
InChIKeySEAZUIVHPIGRKO-UHFFFAOYSA-N
MW313.40 g/mol
LogP2.67
Rot. Bonds8

About N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide

N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide (PubChem CID 111662357) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
PubChem CID111662357
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide
SMILESCCCC(CCO)CNC(=O)c1cnc(-c2ccccc2)nc1
InChIInChI=1S/C18H23N3O2/c1-2-6-14(9-10-22)11-21-18(23)16-12-19-17(20-13-16)15-7-4-3-5-8-15/h3-5,7-8,12-14,22H,2,6,9-11H2,1H3,(H,21,23)
InChIKeySEAZUIVHPIGRKO-UHFFFAOYSA-N
XLogP2.67
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethyl)pentyl]-1-phenylpyrazole-4-carboxamide
CID 111662226
N-[2-(2-hydroxyethyl)pentyl]pyridine-3-carboxamide
CID 103722744
N-[2-(2-hydroxyethyl)pentyl]pyridine-4-carboxamide
CID 111662354
N-[(2R)-2-ethylpentyl]benzamide
CID 2334822
2-chloro-N-[2-(2-hydroxyethyl)pentyl]benzamide
CID 103722702
N-[2-(2-hydroxyethyl)pentyl]-3-iodobenzamide
CID 103722668
N-[2-(2-hydroxyethyl)pentyl]-3,5-dimethylbenzamide
CID 103722617
3-amino-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114145530
3-bromo-N-[2-(2-hydroxyethyl)pentyl]pyridine-2-carboxamide
CID 114078844
N-(2-benzamidoethyl)-2-phenylpyrimidine-5-carboxamide
CID 47781848
N-[2-(2-hydroxyethyl)pentyl]-4-methylsulfonylbenzamide
CID 103722829
N-[2-(2-hydroxyethyl)-4-methylpentyl]benzamide
CID 111662609

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide (CID 111662357) is N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide is CCCC(CCO)CNC(=O)c1cnc(-c2ccccc2)nc1.
What is the InChIKey of N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide?
The InChIKey is SEAZUIVHPIGRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-2-6-14(9-10-22)11-21-18(23)16-12-19-17(20-13-16)15-7-4-3-5-8-15/h3-5,7-8,12-14,22H,2,6,9-11H2,1H3,(H,21,23).
What are the key properties of N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide?
N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethyl)pentyl]-2-phenylpyrimidine-5-carboxamide is sourced from PubChem (CID 111662357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).