N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide

C20H23N3O2 — CID 109102324

IUPACN-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H23N3O2/c1-3-14(2)22-19(24)17-10-18(12-21-11-17)20(25)23-9-8-15-6-4-5-7-16(15)13-23/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,22,24)
InChIKeyJFPGJSURFIMWQY-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.81
Rot. Bonds4

About N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide

N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide (PubChem CID 109102324) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
PubChem CID109102324
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC NameN-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide
SMILESCCC(C)NC(=O)c1cncc(C(=O)N2CCc3ccccc3C2)c1
InChIInChI=1S/C20H23N3O2/c1-3-14(2)22-19(24)17-10-18(12-21-11-17)20(25)23-9-8-15-6-4-5-7-16(15)13-23/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,22,24)
InChIKeyJFPGJSURFIMWQY-UHFFFAOYSA-N
XLogP2.81
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butan-2-yl-5-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-3-carboxamide
CID 109102375
5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-prop-2-enylpyridine-3-carboxamide
CID 109101756
N-butan-2-yl-5-[4-(2-fluorophenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102347
N-benzyl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-methylpyridine-3-carboxamide
CID 109105429
N-butan-2-yl-5-(2-ethylpiperidine-1-carbonyl)pyridine-3-carboxamide
CID 109102362
N-butan-2-yl-3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)benzenesulfonamide
CID 109062908
N-butan-2-yl-5-[4-(4-methoxyphenyl)piperazine-1-carbonyl]pyridine-3-carboxamide
CID 109102368
3,4-dihydro-1H-isoquinolin-2-yl-(5-piperidin-1-yl-3-pyridinyl)methanone
CID 109226477
3,4-dihydro-1H-isoquinolin-2-yl-[5-(4-phenylpiperazin-1-yl)-3-pyridinyl]methanone
CID 109236023
3,4-dihydro-1H-isoquinolin-2-yl-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)methanone
CID 17461214
3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-pentylbenzamide
CID 109055330
[5-(2,6-difluoroanilino)-3-pyridinyl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 109236119

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide?
The IUPAC name of N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide (CID 109102324) is N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide.
What is the SMILES notation for N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide?
The canonical SMILES for N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide is CCC(C)NC(=O)c1cncc(C(=O)N2CCc3ccccc3C2)c1.
What is the InChIKey of N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide?
The InChIKey is JFPGJSURFIMWQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-14(2)22-19(24)17-10-18(12-21-11-17)20(25)23-9-8-15-6-4-5-7-16(15)13-23/h4-7,10-12,14H,3,8-9,13H2,1-2H3,(H,22,24).
What are the key properties of N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide?
N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide has a molecular weight of 337.42 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-5-(3,4-dihydro-1H-isoquinoline-2-carbonyl)pyridine-3-carboxamide is sourced from PubChem (CID 109102324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).