N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide

C23H25N3O2 — CID 153496072

IUPACN-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc3c(OCC4CCCC4)nccc3c2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-15-11-16(2)21(25-13-15)22(27)26-19-7-8-20-18(12-19)9-10-24-23(20)28-14-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,26,27)
InChIKeyBDVQGYGDIICQBK-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.07
Rot. Bonds5

About N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide

N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide (PubChem CID 153496072) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide
PubChem CID153496072
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide
SMILESCc1cnc(C(=O)Nc2ccc3c(OCC4CCCC4)nccc3c2)c(C)c1
InChIInChI=1S/C23H25N3O2/c1-15-11-16(2)21(25-13-15)22(27)26-19-7-8-20-18(12-19)9-10-24-23(20)28-14-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,26,27)
InChIKeyBDVQGYGDIICQBK-UHFFFAOYSA-N
XLogP5.07
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide?
The IUPAC name of N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide (CID 153496072) is N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide.
What is the SMILES notation for N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide?
The canonical SMILES for N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide is Cc1cnc(C(=O)Nc2ccc3c(OCC4CCCC4)nccc3c2)c(C)c1.
What is the InChIKey of N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide?
The InChIKey is BDVQGYGDIICQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-15-11-16(2)21(25-13-15)22(27)26-19-7-8-20-18(12-19)9-10-24-23(20)28-14-17-5-3-4-6-17/h7-13,17H,3-6,14H2,1-2H3,(H,26,27).
What are the key properties of N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide?
N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-3,5-dimethylpyridine-2-carboxamide is sourced from PubChem (CID 153496072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).