N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

C29H34N4O — CID 11648174

IUPACN-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C29H34N4O/c1-32(21-16-23-12-4-2-5-13-23)27(34)25-22-30-28(33-19-10-11-20-33)31-26(25)29(17-8-9-18-29)24-14-6-3-7-15-24/h2-7,12-15,22H,8-11,16-21H2,1H3
InChIKeyIZGSHFMRURNGSR-UHFFFAOYSA-N
MW454.62 g/mol
LogP5.25
Rot. Bonds7

About N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide

N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (PubChem CID 11648174) has the molecular formula C29H34N4O and a molecular weight of 454.62 g/mol. Its IUPAC name is N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
PubChem CID11648174
Molecular FormulaC29H34N4O
Molecular Weight454.62 g/mol
Exact Mass454.27
IUPAC NameN-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
SMILESCN(CCc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1C1(c2ccccc2)CCCC1
InChIInChI=1S/C29H34N4O/c1-32(21-16-23-12-4-2-5-13-23)27(34)25-22-30-28(33-19-10-11-20-33)31-26(25)29(17-8-9-18-29)24-14-6-3-7-15-24/h2-7,12-15,22H,8-11,16-21H2,1H3
InChIKeyIZGSHFMRURNGSR-UHFFFAOYSA-N
XLogP5.25
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.62
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide (CID 11648174) is N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is CN(CCc1ccccc1)C(=O)c1cnc(N2CCCC2)nc1C1(c2ccccc2)CCCC1.
What is the InChIKey of N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is IZGSHFMRURNGSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34N4O/c1-32(21-16-23-12-4-2-5-13-23)27(34)25-22-30-28(33-19-10-11-20-33)31-26(25)29(17-8-9-18-29)24-14-6-3-7-15-24/h2-7,12-15,22H,8-11,16-21H2,1H3.
What are the key properties of N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide?
N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 454.62 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(1-phenylcyclopentyl)-N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 11648174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).