5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

C18H19F2N5O — CID 164822686

IUPAC5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESCCCCCNC(=O)c1nc(Nc2cc(F)nc(F)c2)cc2cc[nH]c12
InChIInChI=1S/C18H19F2N5O/c1-2-3-4-6-22-18(26)17-16-11(5-7-21-16)8-15(25-17)23-12-9-13(19)24-14(20)10-12/h5,7-10,21H,2-4,6H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyNPMQIQSCMZBCAI-UHFFFAOYSA-N
MW359.38 g/mol
LogP3.90
Rot. Bonds7

About 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide

5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (PubChem CID 164822686) has the molecular formula C18H19F2N5O and a molecular weight of 359.38 g/mol. Its IUPAC name is 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
PubChem CID164822686
Molecular FormulaC18H19F2N5O
Molecular Weight359.38 g/mol
Exact Mass359.16
IUPAC Name5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
SMILESCCCCCNC(=O)c1nc(Nc2cc(F)nc(F)c2)cc2cc[nH]c12
InChIInChI=1S/C18H19F2N5O/c1-2-3-4-6-22-18(26)17-16-11(5-7-21-16)8-15(25-17)23-12-9-13(19)24-14(20)10-12/h5,7-10,21H,2-4,6H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyNPMQIQSCMZBCAI-UHFFFAOYSA-N
XLogP3.90
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide with MolForge

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Related Compounds

6-(4-fluoroanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846839
5-(3,5-difluoroanilino)-N-spiro[3.4]octan-3-yl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide
CID 155354732
3-bromo-6-fluoro-N-pentylpyridine-2-carboxamide
CID 122134313
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-(4-bromoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846850
1-(1H-indol-6-yl)-3-pentylurea
CID 155412349
4-N,5-N,10-N,11-N,16-N,17-N-hexahexyl-3,6,9,12,15,18-hexazatetracyclo[12.4.0.02,7.08,13]octadeca-1,3,5,7,9,11,13,15,17-nonaene-4,5,10,11,16,17-hexacarboxamide
CID 14294049
6-(3-acetamidoanilino)-2-methyl-N-pentylpyrimidine-4-carboxamide
CID 112846868
2-N,6-N-didecylpyridine-2,6-dicarboxamide
CID 4564479
2,3-difluoro-N-pentylbenzamide
CID 62649821
N-(3-butoxypropyl)-1H-indole-5-carboxamide
CID 115618115
3,4-difluoro-N-heptylbenzamide
CID 91717416

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The IUPAC name of 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide (CID 164822686) is 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide.
What is the SMILES notation for 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The canonical SMILES for 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is CCCCCNC(=O)c1nc(Nc2cc(F)nc(F)c2)cc2cc[nH]c12.
What is the InChIKey of 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
The InChIKey is NPMQIQSCMZBCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N5O/c1-2-3-4-6-22-18(26)17-16-11(5-7-21-16)8-15(25-17)23-12-9-13(19)24-14(20)10-12/h5,7-10,21H,2-4,6H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide?
5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide has a molecular weight of 359.38 g/mol, XLogP of 3.90, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-difluoro-4-pyridinyl)amino]-N-pentyl-1H-pyrrolo[2,3-c]pyridine-7-carboxamide is sourced from PubChem (CID 164822686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).