N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide

C19H19N5O — CID 122298631

IUPACN-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1nccc2ccccc12
InChIInChI=1S/C19H19N5O/c25-18(17-16-7-3-2-6-14(16)8-9-20-17)23-15-12-21-19(22-13-15)24-10-4-1-5-11-24/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,25)
InChIKeyJRUDKRWJZYXKRX-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.27
Rot. Bonds3

About N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide

N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide (PubChem CID 122298631) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
PubChem CID122298631
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide
SMILESO=C(Nc1cnc(N2CCCCC2)nc1)c1nccc2ccccc12
InChIInChI=1S/C19H19N5O/c25-18(17-16-7-3-2-6-14(16)8-9-20-17)23-15-12-21-19(22-13-15)24-10-4-1-5-11-24/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,25)
InChIKeyJRUDKRWJZYXKRX-UHFFFAOYSA-N
XLogP3.27
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 53014761
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)furan-2-carboxamide
CID 71789966
N-(2-pyrrolidin-1-ylpyrimidin-5-yl)pyridine-4-carboxamide
CID 71789978
N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]naphthalene-1-carboxamide
CID 71790052
4-oxo-N-(2-piperidin-1-ylpyrimidin-5-yl)chromene-2-carboxamide
CID 122298602
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
N-[2-(azepan-1-yl)pyrimidin-5-yl]pyrazine-2-carboxamide
CID 53164765
2,6-difluoro-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53164645
5-chloro-N-(2-piperidin-1-ylpyrimidin-5-yl)thiophene-2-carboxamide
CID 53164697
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
N-[2-(azepan-1-yl)pyrimidin-5-yl]butanamide
CID 53164766
3-methyl-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298426

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide?
The IUPAC name of N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide (CID 122298631) is N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide is O=C(Nc1cnc(N2CCCCC2)nc1)c1nccc2ccccc12.
What is the InChIKey of N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide?
The InChIKey is JRUDKRWJZYXKRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-18(17-16-7-3-2-6-14(16)8-9-20-17)23-15-12-21-19(22-13-15)24-10-4-1-5-11-24/h2-3,6-9,12-13H,1,4-5,10-11H2,(H,23,25).
What are the key properties of N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide?
N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-1-ylpyrimidin-5-yl)isoquinoline-1-carboxamide is sourced from PubChem (CID 122298631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).