N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide

C23H25N5O2 — CID 66576336

IUPACN-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide
SMILESCCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)C3CC3)c2cn1
InChIInChI=1S/C23H25N5O2/c1-3-24-23(30)28-21-11-19-18(16-8-9-25-14(2)10-16)7-6-17(20(19)13-26-21)12-27-22(29)15-4-5-15/h6-11,13,15H,3-5,12H2,1-2H3,(H,27,29)(H2,24,26,28,30)
InChIKeyMJNSPZPJHGYCTR-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.77
Rot. Bonds6

About N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide

N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide (PubChem CID 66576336) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide
PubChem CID66576336
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide
SMILESCCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)C3CC3)c2cn1
InChIInChI=1S/C23H25N5O2/c1-3-24-23(30)28-21-11-19-18(16-8-9-25-14(2)10-16)7-6-17(20(19)13-26-21)12-27-22(29)15-4-5-15/h6-11,13,15H,3-5,12H2,1-2H3,(H,27,29)(H2,24,26,28,30)
InChIKeyMJNSPZPJHGYCTR-UHFFFAOYSA-N
XLogP3.77
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide with MolForge

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Related Compounds

1-Phenyl-3-(3-(pyridin-2-yl)isoquinolin-1-yl)urea
CID 10640891
(2r)-3-[2-Amino-6-(3-Methylpyridin-2-Yl)quinolin-3-Yl]-N-(3,3-Dimethylbutyl)-2-Methylpropanamide
CID 53465991
1-Ethyl-3-[8-methyl-5-(2-methylpyridin-4-yl)isoquinolin-3-yl]urea
CID 67448852
N-(2-(pyrrolidin-1-yl)ethyl)-1-(3-(2-(tetrahydro-2H-pyran-4-ylamino)pyridin-4-yl)-2,6-naphthyridin-1-yl)piperidine-4-carboxamide
CID 46901056
US10251893, Cpd 51
CID 46926891
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726
N-(8-amino-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135342628
N-(8-amino-7-cyano-6-(4-methylpyridin-3-yl)isoquinolin-3-yl)cyclopropanecarboxamide
CID 135343141
N-(8-amino-6-(4-methylpyridin-3-yl)-2,7-naphthyridin-3-yl)cyclopropanecarboxamide
CID 135345433
1,6-Naphthyridine 31
CID 5330141
N-[4-(Isoquinolin-7-Yl)pyridin-2-Yl]cyclopropanecarboxamide
CID 91667413
N-[5-(2,3-dimethylphenyl)-1,6-naphthyridin-7-yl]acetamide
CID 146014962

Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide (CID 66576336) is N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide is CCNC(=O)Nc1cc2c(-c3ccnc(C)c3)ccc(CNC(=O)C3CC3)c2cn1.
What is the InChIKey of N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide?
The InChIKey is MJNSPZPJHGYCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-3-24-23(30)28-21-11-19-18(16-8-9-25-14(2)10-16)7-6-17(20(19)13-26-21)12-27-22(29)15-4-5-15/h6-11,13,15H,3-5,12H2,1-2H3,(H,27,29)(H2,24,26,28,30).
What are the key properties of N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide?
N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide has a molecular weight of 403.49 g/mol, XLogP of 3.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylcarbamoylamino)-5-(2-methyl-4-pyridinyl)isoquinolin-8-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 66576336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).