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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Related Compounds

N-[1-(cyclopentylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
CID 158497148
4-methyl-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]benzamide
CID 153496100
3-amino-N-[1-(oxan-4-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626710
[1-(oxolan-3-ylmethoxy)isoquinolin-6-yl]carbamic acid
CID 146586192
N-[1-[(2-methyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626709
3-amino-N-[8-(cyclohexylmethoxy)-1,7-naphthyridin-3-yl]pyridine-2-carboxamide;3-amino-N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]pyridine-2-carboxamide;N-[8-(cyclohexylmethoxy)-1,7-naphthyridin-3-yl]-5-fluoropyridine-2-carboxamide;N-[8-(cyclohexylmethoxy)-1,7-naphthyridin-3-yl]pyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-5-fluoropyridine-2-carboxamide;N-[1-(1,4-dioxan-2-ylmethoxy)isoquinolin-6-yl]-6-fluoropyridine-2-carboxamide
CID 158052375
3-amino-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2-methyloxan-4-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(4-methyloxolan-3-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 165003024
N-[8-(oxan-4-ylmethoxy)-1,7-naphthyridin-3-yl]pyridine-2-carboxamide
CID 146630003
N-[1-[(2R)-2-methoxypropoxy]isoquinolin-6-yl]pyridine-2-carboxamide
CID 146626711
3-amino-N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-amino-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(2,2-dimethyloxan-4-yl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;3-hydroxy-N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-[(1-methylcyclohexyl)methoxy]isoquinolin-6-yl]pyridine-2-carboxamide;N-[1-(2,2,5,5-tetramethyloxolan-3-yl)oxyisoquinolin-6-yl]pyridine-2-carboxamide
CID 165088811
[6-[[2-[(1-methylpiperidin-4-yl)methoxy]-4-pyridinyl]methylamino]isoquinolin-1-yl] carbamate
CID 175496845
N-[3-[(2,6-dimethyloxan-4-yl)methoxy]-1-methylindazol-6-yl]-3-methylpyridine-2-carboxamide
CID 164850344

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).