N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide

C22H22N4O2 — CID 138586260

IUPACN-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4cncc(C=O)c4)ccc3cn2)CC1
InChIInChI=1S/C22H22N4O2/c1-26-6-4-16(5-7-26)22(28)25-21-10-19-9-17(2-3-18(19)13-24-21)20-8-15(14-27)11-23-12-20/h2-3,8-14,16H,4-7H2,1H3,(H,24,25,28)
InChIKeyJOXNXNDPLSHYSD-UHFFFAOYSA-N
MW374.44 g/mol
LogP3.39
Rot. Bonds4

About N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide

N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 138586260) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID138586260
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2cc3cc(-c4cncc(C=O)c4)ccc3cn2)CC1
InChIInChI=1S/C22H22N4O2/c1-26-6-4-16(5-7-26)22(28)25-21-10-19-9-17(2-3-18(19)13-24-21)20-8-15(14-27)11-23-12-20/h2-3,8-14,16H,4-7H2,1H3,(H,24,25,28)
InChIKeyJOXNXNDPLSHYSD-UHFFFAOYSA-N
XLogP3.39
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-methyl-5-[3-[(1-methylpiperidine-4-carbonyl)amino]isoquinolin-6-yl]pyridine-3-carboxamide
CID 138586300
N-[6-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]isoquinolin-3-yl]cyclopropanecarboxamide
CID 138586383
N-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138586735
N-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-2-[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]acetamide
CID 142575544
N-[3-(5-cyano-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-methylpiperidine-4-carboxamide
CID 138589108
1-acetyl-N-[6-(azet-3-yl)isoquinolin-3-yl]piperidine-4-carboxamide
CID 143569882
2-[6-(5-fluoro-3-pyridinyl)isoquinolin-3-yl]-1-(1-methylpiperidin-4-yl)ethanone
CID 158589955
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]acetic acid
CID 166687835
2-[4-[[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]carbamoyl]piperidin-1-yl]propanoic acid
CID 166687824
N-[1-(1-methylpiperidin-4-yl)ethenyl]-6-(1,3-thiazol-5-yl)isoquinolin-3-amine
CID 166702482
N-[4-(5-formyl-3-pyridinyl)-2-pyridinyl]propanamide
CID 166785712
N-[7-(5-cyano-3-pyridinyl)quinazolin-2-yl]-1-methylpiperidine-4-carboxamide
CID 138587041

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide (CID 138586260) is N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2cc3cc(-c4cncc(C=O)c4)ccc3cn2)CC1.
What is the InChIKey of N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is JOXNXNDPLSHYSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-26-6-4-16(5-7-26)22(28)25-21-10-19-9-17(2-3-18(19)13-24-21)20-8-15(14-27)11-23-12-20/h2-3,8-14,16H,4-7H2,1H3,(H,24,25,28).
What are the key properties of N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide?
N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 374.44 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-formyl-3-pyridinyl)isoquinolin-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 138586260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).