N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide

C20H27N5O — CID 109262419

IUPACN,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C20H27N5O/c1-3-24(4-2)19(26)16-14-21-20(22-15-16)23-17-8-10-18(11-9-17)25-12-6-5-7-13-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,22,23)
InChIKeyKAODTRGCBZHDSX-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.69
Rot. Bonds6

About N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide

N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide (PubChem CID 109262419) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
PubChem CID109262419
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC NameN,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide
SMILESCCN(CC)C(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1
InChIInChI=1S/C20H27N5O/c1-3-24(4-2)19(26)16-14-21-20(22-15-16)23-17-8-10-18(11-9-17)25-12-6-5-7-13-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,22,23)
InChIKeyKAODTRGCBZHDSX-UHFFFAOYSA-N
XLogP3.69
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.69
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

[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]-pyrrolidin-1-ylmethanone
CID 109249351
N,N-diethyl-5-(4-pyrrolidin-1-ylanilino)pyrazine-2-carboxamide
CID 109286810
(4-methylpiperazin-1-yl)-[2-(4-piperidin-1-ylanilino)pyrimidin-5-yl]methanone
CID 109253781
N,N-diethyl-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109262395
2-(4-cyanoanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262455
azepan-1-yl-[2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-5-yl]methanone
CID 109264917
2-(3,4-dichloroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262443
N-(pyridin-4-ylmethyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109259201
2-(4-piperidin-1-ylanilino)-N-(pyridin-3-ylmethyl)pyrimidine-5-carboxamide
CID 109258918
N-(2,6-dimethylphenyl)-2-(4-pyrrolidin-1-ylanilino)pyrimidine-5-carboxamide
CID 109267034
4-N,4-N-diethyl-2-N-(4-pyrrolidin-1-ylphenyl)pyridine-2,4-dicarboxamide
CID 109088853
2-(3,4-difluoroanilino)-N,N-diethylpyrimidine-5-carboxamide
CID 109262459

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide?
The IUPAC name of N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide (CID 109262419) is N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide.
What is the SMILES notation for N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide?
The canonical SMILES for N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide is CCN(CC)C(=O)c1cnc(Nc2ccc(N3CCCCC3)cc2)nc1.
What is the InChIKey of N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide?
The InChIKey is KAODTRGCBZHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c1-3-24(4-2)19(26)16-14-21-20(22-15-16)23-17-8-10-18(11-9-17)25-12-6-5-7-13-25/h8-11,14-15H,3-7,12-13H2,1-2H3,(H,21,22,23).
What are the key properties of N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide?
N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide has a molecular weight of 353.47 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-(4-piperidin-1-ylanilino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109262419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).