N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide

C23H17F2N5O2 — CID 146571651

IUPACN-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1)c1ccnc(F)c1F
InChIInChI=1S/C23H17F2N5O2/c24-20-16(7-10-27-21(20)25)23(32)28-17-2-1-3-18-15(17)8-11-30(18)14-6-9-26-19(12-14)29-22(31)13-4-5-13/h1-3,6-13H,4-5H2,(H,28,32)(H,26,29,31)
InChIKeyNTEUYXCOVSHYSB-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.30
Rot. Bonds5

About N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide

N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide (PubChem CID 146571651) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide
PubChem CID146571651
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC NameN-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide
SMILESO=C(Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1)c1ccnc(F)c1F
InChIInChI=1S/C23H17F2N5O2/c24-20-16(7-10-27-21(20)25)23(32)28-17-2-1-3-18-15(17)8-11-30(18)14-6-9-26-19(12-14)29-22(31)13-4-5-13/h1-3,6-13H,4-5H2,(H,28,32)(H,26,29,31)
InChIKeyNTEUYXCOVSHYSB-UHFFFAOYSA-N
XLogP4.30
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[4-(2,3-dimethylbut-2-enoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 146614177
N-[4-[4-(2-cyanopropanoylamino)indol-1-yl]-2-pyridinyl]cyclopropanecarboxamide
CID 146571625
N-(2,5-difluoro-4-methylphenyl)-2,3-difluoropyridine-4-carboxamide
CID 103585463
N-(2-amino-3-pyridinyl)-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 155516197
N-(2-ethoxyphenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380223
N-[3-[2-(cyclopropanecarbonylamino)-4-pyridinyl]-1H-indol-7-yl]-3-fluorobenzamide
CID 146571657
N-(4-chloro-2-iodophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470498
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(2-bromo-6-fluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 107470490
2,3-difluoro-N-(2-methyl-5-nitrophenyl)pyridine-4-carboxamide
CID 105380524
(3R)-N-(1-methylindol-4-yl)-1-pyrimidin-2-ylpiperidine-3-carboxamide
CID 96556781
2,3-difluoro-N-quinoxalin-6-ylpyridine-4-carboxamide
CID 105380445

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide?
The IUPAC name of N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide (CID 146571651) is N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide.
What is the SMILES notation for N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide?
The canonical SMILES for N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide is O=C(Nc1cccc2c1ccn2-c1ccnc(NC(=O)C2CC2)c1)c1ccnc(F)c1F.
What is the InChIKey of N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide?
The InChIKey is NTEUYXCOVSHYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c24-20-16(7-10-27-21(20)25)23(32)28-17-2-1-3-18-15(17)8-11-30(18)14-6-9-26-19(12-14)29-22(31)13-4-5-13/h1-3,6-13H,4-5H2,(H,28,32)(H,26,29,31).
What are the key properties of N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide?
N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide has a molecular weight of 433.42 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(cyclopropanecarbonylamino)-4-pyridinyl]indol-4-yl]-2,3-difluoropyridine-4-carboxamide is sourced from PubChem (CID 146571651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).