4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide

C16H19N5O — CID 53336276

IUPAC4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N5O/c17-14-13(15(22)19-12-7-3-1-4-8-12)11-18-16(20-14)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,19,22)(H2,17,18,20)
InChIKeyKJWYGFMZNQXNJY-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.30
Rot. Bonds3

About 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide

4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide (PubChem CID 53336276) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
PubChem CID53336276
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide
SMILESNc1nc(N2CCCCC2)ncc1C(=O)Nc1ccccc1
InChIInChI=1S/C16H19N5O/c17-14-13(15(22)19-12-7-3-1-4-8-12)11-18-16(20-14)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,19,22)(H2,17,18,20)
InChIKeyKJWYGFMZNQXNJY-UHFFFAOYSA-N
XLogP2.30
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2-(4-ethylpiperazin-1-yl)-N-phenylpyrimidine-5-carboxamide
CID 53143924
4-amino-2-(azepan-1-yl)-N-(4-ethoxyphenyl)pyrimidine-5-carboxamide
CID 53490821
4-amino-N-benzyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 53143942
4-amino-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 53336280
4-amino-2-[4-(2,4-dimethylphenyl)piperazin-1-yl]-N-phenylpyrimidine-5-carboxamide
CID 53336281
N-(4-hydroxyphenyl)-4-methyl-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 66504155
4-amino-N-(4-ethoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine-5-carboxamide
CID 53336252
4-methyl-2-morpholin-4-yl-N-phenylpyrimidine-5-carboxamide
CID 66504097
methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
CID 3078702
4-amino-2-[4-(1,3-benzoxazol-2-yl)piperazin-1-yl]-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 172594354
N-(3-hydroxyphenyl)-4-methyl-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 66504382
4-amino-N-(4-ethoxyphenyl)-2-thiomorpholin-4-ylpyrimidine-5-carboxamide
CID 53144022

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The IUPAC name of 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide (CID 53336276) is 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide.
What is the SMILES notation for 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The canonical SMILES for 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide is Nc1nc(N2CCCCC2)ncc1C(=O)Nc1ccccc1.
What is the InChIKey of 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
The InChIKey is KJWYGFMZNQXNJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c17-14-13(15(22)19-12-7-3-1-4-8-12)11-18-16(20-14)21-9-5-2-6-10-21/h1,3-4,7-8,11H,2,5-6,9-10H2,(H,19,22)(H2,17,18,20).
What are the key properties of 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide?
4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 2.30, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-phenyl-2-piperidin-1-ylpyrimidine-5-carboxamide is sourced from PubChem (CID 53336276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).