N-[1-(propanoylamino)isoquinolin-3-yl]propanamide

C15H17N3O2 — CID 69038931

IUPACN-[1-(propanoylamino)isoquinolin-3-yl]propanamide
SMILESCCC(=O)Nc1cc2ccccc2c(NC(=O)CC)n1
InChIInChI=1S/C15H17N3O2/c1-3-13(19)16-12-9-10-7-5-6-8-11(10)15(17-12)18-14(20)4-2/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeySFVSTJJRUCVHNI-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.93
Rot. Bonds4

About N-[1-(propanoylamino)isoquinolin-3-yl]propanamide

N-[1-(propanoylamino)isoquinolin-3-yl]propanamide (PubChem CID 69038931) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is N-[1-(propanoylamino)isoquinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[1-(propanoylamino)isoquinolin-3-yl]propanamide
PubChem CID69038931
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC NameN-[1-(propanoylamino)isoquinolin-3-yl]propanamide
SMILESCCC(=O)Nc1cc2ccccc2c(NC(=O)CC)n1
InChIInChI=1S/C15H17N3O2/c1-3-13(19)16-12-9-10-7-5-6-8-11(10)15(17-12)18-14(20)4-2/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20)
InChIKeySFVSTJJRUCVHNI-UHFFFAOYSA-N
XLogP2.93
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-(4-anthracen-9-ylphenyl)propanamide
CID 168954302
N-(3-ethoxyisoquinolin-1-yl)acetamide
CID 119092888
N-[1-(3-chloroanilino)isoquinolin-3-yl]acetamide
CID 24986557
N-(1-ethylpyrazolo[3,4-b]quinolin-3-yl)propanamide
CID 937036
N-(6-formylisoquinolin-1-yl)propanamide
CID 119083188
N-(5-hydroxynaphthalen-2-yl)propanamide
CID 137348573
N-(6-methyl-2-pyridinyl)propanamide
CID 5057760
N-(1-naphthalen-1-ylethyl)propanamide
CID 13202765
N-(3-fluoro-2-pyridinyl)propanamide
CID 130249129
N-(3-methoxyisoquinolin-1-yl)-2-(2H-tetrazol-5-yl)acetamide
CID 166387793
N-([1,2]oxazolo[5,4-b]pyridin-3-yl)propanamide
CID 42110353

Frequently Asked Questions

What is the IUPAC name of N-[1-(propanoylamino)isoquinolin-3-yl]propanamide?
The IUPAC name of N-[1-(propanoylamino)isoquinolin-3-yl]propanamide (CID 69038931) is N-[1-(propanoylamino)isoquinolin-3-yl]propanamide.
What is the SMILES notation for N-[1-(propanoylamino)isoquinolin-3-yl]propanamide?
The canonical SMILES for N-[1-(propanoylamino)isoquinolin-3-yl]propanamide is CCC(=O)Nc1cc2ccccc2c(NC(=O)CC)n1.
What is the InChIKey of N-[1-(propanoylamino)isoquinolin-3-yl]propanamide?
The InChIKey is SFVSTJJRUCVHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-3-13(19)16-12-9-10-7-5-6-8-11(10)15(17-12)18-14(20)4-2/h5-9H,3-4H2,1-2H3,(H2,16,17,18,19,20).
What are the key properties of N-[1-(propanoylamino)isoquinolin-3-yl]propanamide?
N-[1-(propanoylamino)isoquinolin-3-yl]propanamide has a molecular weight of 271.32 g/mol, XLogP of 2.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(propanoylamino)isoquinolin-3-yl]propanamide is sourced from PubChem (CID 69038931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).