N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide

C16H21N3O3 — CID 90811158

IUPACN-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide
SMILESNCCCNCCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H21N3O3/c17-7-3-8-18-9-4-10-19-15(20)13-11-12-5-1-2-6-14(12)22-16(13)21/h1-2,5-6,11,18H,3-4,7-10,17H2,(H,19,20)
InChIKeyQYOORPMEQPQBHD-UHFFFAOYSA-N
MW303.36 g/mol
LogP0.85
Rot. Bonds8

About N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide

N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide (PubChem CID 90811158) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide
PubChem CID90811158
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC NameN-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide
SMILESNCCCNCCCNC(=O)c1cc2ccccc2oc1=O
InChIInChI=1S/C16H21N3O3/c17-7-3-8-18-9-4-10-19-15(20)13-11-12-5-1-2-6-14(12)22-16(13)21/h1-2,5-6,11,18H,3-4,7-10,17H2,(H,19,20)
InChIKeyQYOORPMEQPQBHD-UHFFFAOYSA-N
XLogP0.85
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Oxo-N-(phenylmethyl)-2H-1-benzopyran-3-carboxamide
CID 120587
2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 728535
3-(4-Morpholinylcarbonyl)-2H-1-benzopyran-2-one
CID 28914
N-cyclohexyl-2-oxo-2H-chromene-3-carboxamide
CID 724217
2H-1-Benzopyran-3-carboxamide, N,N'-1,4-butanediylbis[2-oxo-
CID 3559465
8-methoxy-2-oxo-N-(2-phenylethyl)-2H-chromene-3-carboxamide
CID 712647
N-(3-methylpent-1-yn-3-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-chromene-3-carboxamide
CID 3425553
N,N'-Ethylenebis(3-coumarincarboxamide)
CID 599283
Coumarin, 3-(piperidinocarbonyl)-
CID 28913
Coumarin, 3-(1-pyrrolidinylcarbonyl)-
CID 28912
N-isobutyl-2-oxo-2H-chromene-3-carboxamide
CID 823440
3-Carboxamido coumarin, 5
CID 10657190

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide (CID 90811158) is N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide is NCCCNCCCNC(=O)c1cc2ccccc2oc1=O.
What is the InChIKey of N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide?
The InChIKey is QYOORPMEQPQBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c17-7-3-8-18-9-4-10-19-15(20)13-11-12-5-1-2-6-14(12)22-16(13)21/h1-2,5-6,11,18H,3-4,7-10,17H2,(H,19,20).
What are the key properties of N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide?
N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 0.85, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-aminopropylamino)propyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 90811158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).