(2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide

C23H24N4O2 — CID 146238665

IUPAC(2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C)C(=O)Nc1ccc(-n2ccc3ccncc32)nc1)OCCC
InChIInChI=1S/C23H24N4O2/c1-4-14-29-20(5-2)8-6-17(3)23(28)26-19-7-9-22(25-15-19)27-13-11-18-10-12-24-16-21(18)27/h5-13,15-16H,2,4,14H2,1,3H3,(H,26,28)/b17-6+,20-8+
InChIKeyWCXXNMQSKWDYGO-IMFLTRFOSA-N
MW388.47 g/mol
LogP4.80
Rot. Bonds8

About (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide

(2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide (PubChem CID 146238665) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide.

Molecular Properties

Compound Name(2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide
PubChem CID146238665
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name(2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide
SMILESC=C/C(=C\C=C(/C)C(=O)Nc1ccc(-n2ccc3ccncc32)nc1)OCCC
InChIInChI=1S/C23H24N4O2/c1-4-14-29-20(5-2)8-6-17(3)23(28)26-19-7-9-22(25-15-19)27-13-11-18-10-12-24-16-21(18)27/h5-13,15-16H,2,4,14H2,1,3H3,(H,26,28)/b17-6+,20-8+
InChIKeyWCXXNMQSKWDYGO-IMFLTRFOSA-N
XLogP4.80
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluoroethyl)-6-pyrrolo[2,3-c]pyridin-1-ylpyridin-3-amine
CID 118576981
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)urea
CID 162568423
tributyl-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)stannane
CID 140783416
ethyl 2-[(6-imidazol-1-yl-3-pyridinyl)amino]-2-oxoacetate
CID 90564814
1-[5-[(E)-2-pyridin-4-ylethenyl]-2-pyridinyl]pyrrolo[2,3-c]pyridine
CID 118585650
N-(6-pyrazol-1-yl-3-pyridinyl)prop-2-enamide
CID 43698782
2-bromo-N-(6-imidazol-1-yl-3-pyridinyl)butanamide
CID 62855029
2-amino-2-ethyl-N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 79813550
ethyl 2-(isoquinolin-7-ylamino)-2-oxoacetate
CID 58603917
N-[6-(2-methylimidazol-1-yl)-3-pyridinyl]pent-4-enamide
CID 90564944
5-bromo-2-pyrrolo[2,3-c]pyridin-1-ylpyridine-4-carbaldehyde
CID 118576983
propyl 4-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43431226

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide?
The IUPAC name of (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide (CID 146238665) is (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide.
What is the SMILES notation for (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide?
The canonical SMILES for (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide is C=C/C(=C\C=C(/C)C(=O)Nc1ccc(-n2ccc3ccncc32)nc1)OCCC.
What is the InChIKey of (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide?
The InChIKey is WCXXNMQSKWDYGO-IMFLTRFOSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-14-29-20(5-2)8-6-17(3)23(28)26-19-7-9-22(25-15-19)27-13-11-18-10-12-24-16-21(18)27/h5-13,15-16H,2,4,14H2,1,3H3,(H,26,28)/b17-6+,20-8+.
What are the key properties of (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide?
(2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide has a molecular weight of 388.47 g/mol, XLogP of 4.80, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-2-methyl-5-propoxy-N-(6-pyrrolo[2,3-c]pyridin-1-yl-3-pyridinyl)hepta-2,4,6-trienamide is sourced from PubChem (CID 146238665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).