N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C16H18N4O2 — CID 66504382

IUPACN-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCC2)ncc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N4O2/c1-11-14(10-17-16(18-11)20-7-2-3-8-20)15(22)19-12-5-4-6-13(21)9-12/h4-6,9-10,21H,2-3,7-8H2,1H3,(H,19,22)
InChIKeyJSUHFRMXNYJGIO-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.34
Rot. Bonds3

About N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 66504382) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID66504382
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCc1nc(N2CCCC2)ncc1C(=O)Nc1cccc(O)c1
InChIInChI=1S/C16H18N4O2/c1-11-14(10-17-16(18-11)20-7-2-3-8-20)15(22)19-12-5-4-6-13(21)9-12/h4-6,9-10,21H,2-3,7-8H2,1H3,(H,19,22)
InChIKeyJSUHFRMXNYJGIO-UHFFFAOYSA-N
XLogP2.34
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
4-methyl-N-(3-nitrophenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504375
N-(3,4-difluorophenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 50795519
N-(3-fluorophenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504121
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
N-(3-ethylphenyl)-4-methyl-2-(4-methylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 46345557
4-methyl-2-(4-methylpiperazin-1-yl)-N-[3-(trifluoromethyl)phenyl]pyrimidine-5-carboxamide
CID 66504153
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504126
2-(4-ethylpiperazin-1-yl)-N-(3-methoxyphenyl)-4-methylpyrimidine-5-carboxamide
CID 66504041
N-(4-hydroxyphenyl)-4-methyl-2-(4-methylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 66504118
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 66504338
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53336276

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 66504382) is N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is Cc1nc(N2CCCC2)ncc1C(=O)Nc1cccc(O)c1.
What is the InChIKey of N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is JSUHFRMXNYJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-11-14(10-17-16(18-11)20-7-2-3-8-20)15(22)19-12-5-4-6-13(21)9-12/h4-6,9-10,21H,2-3,7-8H2,1H3,(H,19,22).
What are the key properties of N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 66504382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).