N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

C16H17BrN4O — CID 91628640

IUPACN-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H17BrN4O/c17-12-5-4-6-13(9-12)20-16(22)14-10-15(19-11-18-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,22)
InChIKeySRVVUCIRPGKXMY-UHFFFAOYSA-N
MW361.24 g/mol
LogP3.48
Rot. Bonds3

About N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide

N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (PubChem CID 91628640) has the molecular formula C16H17BrN4O and a molecular weight of 361.24 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
PubChem CID91628640
Molecular FormulaC16H17BrN4O
Molecular Weight361.24 g/mol
Exact Mass360.06
IUPAC NameN-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
SMILESO=C(Nc1cccc(Br)c1)c1cc(N2CCCCC2)ncn1
InChIInChI=1S/C16H17BrN4O/c17-12-5-4-6-13(9-12)20-16(22)14-10-15(19-11-18-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,22)
InChIKeySRVVUCIRPGKXMY-UHFFFAOYSA-N
XLogP3.48
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.24
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetylphenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 91628628
N-(3-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342287
6-(azepan-1-yl)-N-(3,4-difluorophenyl)pyrimidine-4-carboxamide
CID 109355592
N-[3-[2-(dimethylamino)-2-oxoethoxy]phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 68556711
6-(azepan-1-yl)-N-(4-cyanophenyl)pyrimidine-4-carboxamide
CID 109355588
N-(3-bromophenyl)-6-methoxypyrimidine-4-carboxamide
CID 121167315
N-[4-(4-methylpiperazin-1-yl)phenyl]-6-piperidin-1-ylpyrimidine-4-carboxamide
CID 109341612
6-(azepan-1-yl)-N-[4-(4-methylpiperazin-1-yl)phenyl]pyrimidine-4-carboxamide
CID 109355558
N-(3-acetamidophenyl)-6-(4-formylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109345667
6-(4-methylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109345059
N-(4-bromophenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342251
6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(3-methylphenyl)pyrimidine-4-carboxamide
CID 109353022

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide (CID 91628640) is N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is O=C(Nc1cccc(Br)c1)c1cc(N2CCCCC2)ncn1.
What is the InChIKey of N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
The InChIKey is SRVVUCIRPGKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN4O/c17-12-5-4-6-13(9-12)20-16(22)14-10-15(19-11-18-14)21-7-2-1-3-8-21/h4-6,9-11H,1-3,7-8H2,(H,20,22).
What are the key properties of N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide?
N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide has a molecular weight of 361.24 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-piperidin-1-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 91628640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).