N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

C22H22N4O2 — CID 109297617

IUPACN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C22H22N4O2/c27-21(20-12-13-23-22(25-20)26-14-4-5-15-26)24-18-8-10-19(11-9-18)28-16-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-16H2,(H,24,27)
InChIKeyQSVBLYPIZRFUEI-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.91
Rot. Bonds6

About N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide

N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (PubChem CID 109297617) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
PubChem CID109297617
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1ccc(OCc2ccccc2)cc1)c1ccnc(N2CCCC2)n1
InChIInChI=1S/C22H22N4O2/c27-21(20-12-13-23-22(25-20)26-14-4-5-15-26)24-18-8-10-19(11-9-18)28-16-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-16H2,(H,24,27)
InChIKeyQSVBLYPIZRFUEI-UHFFFAOYSA-N
XLogP3.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 47038396
N-(4-phenylmethoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250239
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
2-morpholin-4-yl-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109300479
2-(azepan-1-yl)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109313205
2-(4-benzylpiperazin-1-yl)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109309427
2-(4-benzylpiperazin-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109309435
2-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
N-(4-phenylmethoxyphenyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109152128
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide (CID 109297617) is N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccnc(N2CCCC2)n1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is QSVBLYPIZRFUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c27-21(20-12-13-23-22(25-20)26-14-4-5-15-26)24-18-8-10-19(11-9-18)28-16-17-6-2-1-3-7-17/h1-3,6-13H,4-5,14-16H2,(H,24,27).
What are the key properties of N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide?
N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 109297617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).