N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide

C16H19N3O2 — CID 106539065

IUPACN-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
SMILESCOc1cccc2c(NCCC(=O)NC3CC3)nccc12
InChIInChI=1S/C16H19N3O2/c1-21-14-4-2-3-13-12(14)7-9-17-16(13)18-10-8-15(20)19-11-5-6-11/h2-4,7,9,11H,5-6,8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyVHMSNGRCRYXXDH-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.32
Rot. Bonds6

About N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide

N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide (PubChem CID 106539065) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
PubChem CID106539065
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
SMILESCOc1cccc2c(NCCC(=O)NC3CC3)nccc12
InChIInChI=1S/C16H19N3O2/c1-21-14-4-2-3-13-12(14)7-9-17-16(13)18-10-8-15(20)19-11-5-6-11/h2-4,7,9,11H,5-6,8,10H2,1H3,(H,17,18)(H,19,20)
InChIKeyVHMSNGRCRYXXDH-UHFFFAOYSA-N
XLogP2.32
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
CID 106238801
2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
N-cyclopentyl-5-methoxyisoquinolin-1-amine
CID 106537183
N-[(4-aminocyclohexyl)methyl]-5-methoxyisoquinolin-1-amine
CID 106128982
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643
N-but-3-enyl-5-methoxyisoquinolin-1-amine
CID 106539509
N-[3-[(5-methoxyisoquinolin-1-yl)amino]propyl]methanesulfonamide
CID 106337312
N-cyclopropyl-3-[(3-methylsulfonyl-2-pyridinyl)amino]propanamide
CID 114598969
5-methoxy-N-(3-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539682

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
The IUPAC name of N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide (CID 106539065) is N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide is COc1cccc2c(NCCC(=O)NC3CC3)nccc12.
What is the InChIKey of N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
The InChIKey is VHMSNGRCRYXXDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-21-14-4-2-3-13-12(14)7-9-17-16(13)18-10-8-15(20)19-11-5-6-11/h2-4,7,9,11H,5-6,8,10H2,1H3,(H,17,18)(H,19,20).
What are the key properties of N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide?
N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide has a molecular weight of 285.35 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide is sourced from PubChem (CID 106539065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).