N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

C26H29N5O2 — CID 166211896

IUPACN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)n2)cc1)c1ccccc1
InChIInChI=1S/C26H29N5O2/c1-2-31(22-9-5-3-6-10-22)24(32)19-20-11-13-21(14-12-20)28-25(33)23-15-16-27-26(29-23)30-17-7-4-8-18-30/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3,(H,28,33)
InChIKeyRDDAWEJWQBPIHB-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.31
Rot. Bonds7

About N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide

N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 166211896) has the molecular formula C26H29N5O2 and a molecular weight of 443.55 g/mol. Its IUPAC name is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID166211896
Molecular FormulaC26H29N5O2
Molecular Weight443.55 g/mol
Exact Mass443.23
IUPAC NameN-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
SMILESCCN(C(=O)Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)n2)cc1)c1ccccc1
InChIInChI=1S/C26H29N5O2/c1-2-31(22-9-5-3-6-10-22)24(32)19-20-11-13-21(14-12-20)28-25(33)23-15-16-27-26(29-23)30-17-7-4-8-18-30/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3,(H,28,33)
InChIKeyRDDAWEJWQBPIHB-UHFFFAOYSA-N
XLogP4.31
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-phenylmethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297617
2-(azepan-1-yl)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109313208
N-(4-methylphenyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297550
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-(azepan-1-yl)-N-benzylpyrimidine-4-carboxamide
CID 109303801
2-(4-methylpiperazin-1-yl)-N-phenylpyrimidine-4-carboxamide
CID 109302090
2-(azepan-1-yl)-N-(3,4-dichlorophenyl)pyrimidine-4-carboxamide
CID 109313267
2-(N-methylanilino)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109314243
N-(2-phenylethyl)-2-pyrrolidin-1-ylpyrimidine-4-carboxamide
CID 109297498
2-pyrrolidin-1-yl-N-[4-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109297598
6-N-ethyl-2-N-(4-ethylphenyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109100571

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide (CID 166211896) is N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is CCN(C(=O)Cc1ccc(NC(=O)c2ccnc(N3CCCCC3)n2)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is RDDAWEJWQBPIHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O2/c1-2-31(22-9-5-3-6-10-22)24(32)19-20-11-13-21(14-12-20)28-25(33)23-15-16-27-26(29-23)30-17-7-4-8-18-30/h3,5-6,9-16H,2,4,7-8,17-19H2,1H3,(H,28,33).
What are the key properties of N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide?
N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 443.55 g/mol, XLogP of 4.31, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(N-ethylanilino)-2-oxoethyl]phenyl]-2-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 166211896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).