2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C18H16Cl2FN5O — CID 66553511

IUPAC2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H16Cl2FN5O/c1-9(15-13(19)3-4-14(21)16(15)20)25-18(27)12-5-10(6-23-17(12)22)11-7-24-26(2)8-11/h3-9H,1-2H3,(H2,22,23)(H,25,27)
InChIKeySJNLAUPYSAFIFO-UHFFFAOYSA-N
MW408.26 g/mol
LogP4.00
Rot. Bonds4

About 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 66553511) has the molecular formula C18H16Cl2FN5O and a molecular weight of 408.26 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
PubChem CID66553511
Molecular FormulaC18H16Cl2FN5O
Molecular Weight408.26 g/mol
Exact Mass407.07
IUPAC Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C18H16Cl2FN5O/c1-9(15-13(19)3-4-14(21)16(15)20)25-18(27)12-5-10(6-23-17(12)22)11-7-24-26(2)8-11/h3-9H,1-2H3,(H2,22,23)(H,25,27)
InChIKeySJNLAUPYSAFIFO-UHFFFAOYSA-N
XLogP4.00
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.26
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-N-[2-[(1-ethylpyrazol-4-yl)amino]-4-pyridinyl]benzamide
CID 49839441
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine-3-carboxamide
CID 66550111
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine-3-carboxamide
CID 66550112
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(2-oxo-1,3-dihydroindol-5-yl)pyridine-3-carboxamide
CID 66550333
N-[(6-amino-4-chloro-2-methyl-3-pyridinyl)methyl]-1-[[4-[(2-oxo-1-pyridinyl)methyl]phenyl]methyl]pyrazole-4-carboxamide
CID 58081243
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118045229
N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118045231
4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluoro-N-[(1S,2R)-2-phenylcyclopropyl]benzamide
CID 118045857
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(2-methylpyrazol-3-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118045975
N-[(1R)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118046197
N-[2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118046486
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(1,5-dimethylpyrazol-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 118046611

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 66553511) is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is CC(NC(=O)c1cc(-c2cnn(C)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
The InChIKey is SJNLAUPYSAFIFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2FN5O/c1-9(15-13(19)3-4-14(21)16(15)20)25-18(27)12-5-10(6-23-17(12)22)11-7-24-26(2)8-11/h3-9H,1-2H3,(H2,22,23)(H,25,27).
What are the key properties of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 408.26 g/mol, XLogP of 4.00, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 66553511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).