6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide

C27H36N6O3 — CID 130453737

IUPAC6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2c1N[C@@H](C)C1CCOCC1
InChIInChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1
InChIKeySJOFSBIUJPEXTG-SFHVURJKSA-N
MW492.62 g/mol
LogP3.61
Rot. Bonds10

About 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide

6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide (PubChem CID 130453737) has the molecular formula C27H36N6O3 and a molecular weight of 492.62 g/mol. Its IUPAC name is 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide.

Molecular Properties

Compound Name6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
PubChem CID130453737
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
SMILESCNC(=O)c1nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2c1N[C@@H](C)C1CCOCC1
InChIInChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1
InChIKeySJOFSBIUJPEXTG-SFHVURJKSA-N
XLogP3.61
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-cyclopropyl-7-fluoro-8-(2,6-dimethoxypyridin-3-yl)cinnoline-3-carboxamide
CID 25183271
[(2S,3R)-3-(isoquinolin-1-yloxymethyl)-2-methylpiperidin-1-yl]-[5-methyl-2-(triazol-2-yl)phenyl]methanone
CID 45259004
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
CID 138504497
4-amino-8-(4-methoxy-3-pyridyl)-N-propyl-cinnoline-3-carboxamide
CID 23630065
5-[5-(piperidin-1-ylmethyl)-3-pyridinyl]-N-(6-propan-2-yloxy-3-pyridinyl)-1H-indazole-3-carboxamide
CID 118381715
4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-6-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]cinnoline-3-carboxamide
CID 145964978
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
CID 145967469
4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide
CID 54581335
4-[[(1S)-1-(oxan-4-yl)ethyl]amino]-6-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]cinnoline-3-carboxamide
CID 138504490
6-(6-Methoxy-3-pyridinyl)-4-[4-piperazin-1-yl-3-(trifluoromethyl)anilino]quinoline-3-carboxamide;hydrochloride
CID 127035794
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[[(1S)-1-(1,4-dimethylpyrazol-3-yl)ethyl]amino]-N-methylcinnoline-3-carboxamide
CID 145963991
6-[6-(methoxymethyl)-3-pyridinyl]-4-[[(1S)-1-(1-methylpyrazol-3-yl)ethyl]amino]cinnoline-3-carboxamide
CID 145964774

Frequently Asked Questions

What is the IUPAC name of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
The IUPAC name of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide (CID 130453737) is 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide.
What is the SMILES notation for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
The canonical SMILES for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide is CNC(=O)c1nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc2c1N[C@@H](C)C1CCOCC1.
What is the InChIKey of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
The InChIKey is SJOFSBIUJPEXTG-SFHVURJKSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)30-25-22-16-20(6-8-23(22)31-32-26(25)27(34)28-2)21-7-9-24(29-17-21)36-13-5-12-33(3)4/h6-9,16-19H,5,10-15H2,1-4H3,(H,28,34)(H,30,31)/t18-/m0/s1.
What are the key properties of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 3.61, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-N-methyl-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide is sourced from PubChem (CID 130453737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).