N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide

C20H19N3O2 — CID 74236477

IUPACN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCc1ccnc(C(NC(=O)c2c[nH]c(=O)c3ccccc23)C2CC2)c1
InChIInChI=1S/C20H19N3O2/c1-12-8-9-21-17(10-12)18(13-6-7-13)23-20(25)16-11-22-19(24)15-5-3-2-4-14(15)16/h2-5,8-11,13,18H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyHYSGMPRYSJUQIP-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.11
Rot. Bonds4

About N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide

N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide (PubChem CID 74236477) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
PubChem CID74236477
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC NameN-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
SMILESCc1ccnc(C(NC(=O)c2c[nH]c(=O)c3ccccc23)C2CC2)c1
InChIInChI=1S/C20H19N3O2/c1-12-8-9-21-17(10-12)18(13-6-7-13)23-20(25)16-11-22-19(24)15-5-3-2-4-14(15)16/h2-5,8-11,13,18H,6-7H2,1H3,(H,22,24)(H,23,25)
InChIKeyHYSGMPRYSJUQIP-UHFFFAOYSA-N
XLogP3.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-4-propylpyrimidine-5-carboxamide
CID 77085408
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]furan-3-carboxamide
CID 125444561
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methylsulfanylacetamide
CID 125436602
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-methyl-1,3-oxazole-4-carboxamide
CID 122561176
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(methylamino)acetamide
CID 95554873
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-methylimidazole-4-carboxamide
CID 125439959
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-methyl-1,3-benzothiazole-6-carboxamide
CID 77084354
N-[(S)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(3-methoxypyrazin-2-yl)benzamide
CID 125157109
N-[(3-hydroxycyclobutyl)-(6-methoxy-3-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide
CID 91787030
N-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-2-(2,3-dihydroindol-1-yl)-2-oxoacetamide
CID 95551290
1-[(R)-cyclopropyl-(4-methyl-2-pyridinyl)methyl]-3-(6,7-dimethyl-3H-benzimidazol-5-yl)urea
CID 97453549
3-(chloromethyl)-N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-5-(2-methyl-3-pyridinyl)benzamide
CID 146455897

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
The IUPAC name of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide (CID 74236477) is N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide.
What is the SMILES notation for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
The canonical SMILES for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide is Cc1ccnc(C(NC(=O)c2c[nH]c(=O)c3ccccc23)C2CC2)c1.
What is the InChIKey of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
The InChIKey is HYSGMPRYSJUQIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-12-8-9-21-17(10-12)18(13-6-7-13)23-20(25)16-11-22-19(24)15-5-3-2-4-14(15)16/h2-5,8-11,13,18H,6-7H2,1H3,(H,22,24)(H,23,25).
What are the key properties of N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide?
N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 3.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methyl-2-pyridinyl)methyl]-1-oxo-2H-isoquinoline-4-carboxamide is sourced from PubChem (CID 74236477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).