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

C27H36N6O3 — CID 139314889

IUPAC6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
SMILESC[C@@H](C1CCOCC1)N(C)c1c(C(N)=O)nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc12
InChIInChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)33(4)26-22-16-20(6-8-23(22)30-31-25(26)27(28)34)21-7-9-24(29-17-21)36-13-5-12-32(2)3/h6-9,16-19H,5,10-15H2,1-4H3,(H2,28,34)/t18-/m0/s1
InChIKeySMUUVUKQBVBQMW-SFHVURJKSA-N
MW492.62 g/mol
LogP3.37
Rot. Bonds10

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

6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide (PubChem CID 139314889) 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]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide.

Molecular Properties

Compound Name6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
PubChem CID139314889
Molecular FormulaC27H36N6O3
Molecular Weight492.62 g/mol
Exact Mass492.28
IUPAC Name6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
SMILESC[C@@H](C1CCOCC1)N(C)c1c(C(N)=O)nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc12
InChIInChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)33(4)26-22-16-20(6-8-23(22)30-31-25(26)27(28)34)21-7-9-24(29-17-21)36-13-5-12-32(2)3/h6-9,16-19H,5,10-15H2,1-4H3,(H2,28,34)/t18-/m0/s1
InChIKeySMUUVUKQBVBQMW-SFHVURJKSA-N
XLogP3.37
TPSA106.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.62
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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

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
ATM Inhibitor-1
CID 130453737
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide
CID 138504497
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-8-(4-methoxy-3-pyridyl)-N-propyl-cinnoline-3-carboxamide
CID 23630065
4-[[(1S)-1-(oxan-4-yl)ethyl]amino]-6-[6-(3-pyrrolidin-1-ylpropoxy)-3-pyridinyl]cinnoline-3-carboxamide
CID 138504490
4-amino-N-cyclopropyl-8-(2-methoxy-5-methyl-3-pyridinyl)cinnoline-3-carboxamide
CID 54581335
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]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
The IUPAC name of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide (CID 139314889) is 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide.
What is the SMILES notation for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
The canonical SMILES for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide is C[C@@H](C1CCOCC1)N(C)c1c(C(N)=O)nnc2ccc(-c3ccc(OCCCN(C)C)nc3)cc12.
What is the InChIKey of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
The InChIKey is SMUUVUKQBVBQMW-SFHVURJKSA-N. The full InChI is InChI=1S/C27H36N6O3/c1-18(19-10-14-35-15-11-19)33(4)26-22-16-20(6-8-23(22)30-31-25(26)27(28)34)21-7-9-24(29-17-21)36-13-5-12-32(2)3/h6-9,16-19H,5,10-15H2,1-4H3,(H2,28,34)/t18-/m0/s1.
What are the key properties of 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide?
6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide has a molecular weight of 492.62 g/mol, XLogP of 3.37, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[3-(dimethylamino)propoxy]-3-pyridinyl]-4-[methyl-[(1S)-1-(oxan-4-yl)ethyl]amino]cinnoline-3-carboxamide is sourced from PubChem (CID 139314889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).