2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

C22H23N5O — CID 109314243

IUPAC2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C22H23N5O/c1-26(18-7-3-2-4-8-18)22-23-14-13-20(25-22)21(28)24-17-9-11-19(12-10-17)27-15-5-6-16-27/h2-4,7-14H,5-6,15-16H2,1H3,(H,24,28)
InChIKeyHROIISKSLYGYTO-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.10
Rot. Bonds5

About 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide

2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (PubChem CID 109314243) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
PubChem CID109314243
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
SMILESCN(c1ccccc1)c1nccc(C(=O)Nc2ccc(N3CCCC3)cc2)n1
InChIInChI=1S/C22H23N5O/c1-26(18-7-3-2-4-8-18)22-23-14-13-20(25-22)21(28)24-17-9-11-19(12-10-17)27-15-5-6-16-27/h2-4,7-14H,5-6,15-16H2,1H3,(H,24,28)
InChIKeyHROIISKSLYGYTO-UHFFFAOYSA-N
XLogP4.10
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(azepan-1-yl)phenyl]-2-methylpyrimidine-4-carboxamide
CID 55856932
4-(N-ethylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109220342
N-(3-acetylphenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314233
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
2-(pyridin-2-ylmethylamino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109306986
2-anilino-N-[4-(4-methylpiperidin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109313461
6-methoxy-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 110862104
N-(3-cyanophenyl)-2-(N-methylanilino)pyrimidine-4-carboxamide
CID 109314273
N-methyl-N-phenyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 112883885
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538
2-(3-methoxypropylamino)-N-(4-piperidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109300112
2-(N-methylanilino)-N-(2-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109314197

Frequently Asked Questions

What is the IUPAC name of 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide (CID 109314243) is 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is CN(c1ccccc1)c1nccc(C(=O)Nc2ccc(N3CCCC3)cc2)n1.
What is the InChIKey of 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
The InChIKey is HROIISKSLYGYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-26(18-7-3-2-4-8-18)22-23-14-13-20(25-22)21(28)24-17-9-11-19(12-10-17)27-15-5-6-16-27/h2-4,7-14H,5-6,15-16H2,1H3,(H,24,28).
What are the key properties of 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide?
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide has a molecular weight of 373.46 g/mol, XLogP of 4.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 109314243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).