N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide

C21H17Cl2FN4O3 — CID 143190257

IUPACN-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide
SMILESC=CC(Oc1cc(NC(=O)c2ccnc(OC)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C21H17Cl2FN4O3/c1-3-15(18-13(22)4-5-14(24)19(18)23)31-16-9-12(10-27-20(16)25)28-21(29)11-6-7-26-17(8-11)30-2/h3-10,15H,1H2,2H3,(H2,25,27)(H,28,29)
InChIKeyHIQDFFFPBOWFHQ-UHFFFAOYSA-N
MW463.30 g/mol
LogP5.07
Rot. Bonds7

About N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide

N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide (PubChem CID 143190257) has the molecular formula C21H17Cl2FN4O3 and a molecular weight of 463.30 g/mol. Its IUPAC name is N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide
PubChem CID143190257
Molecular FormulaC21H17Cl2FN4O3
Molecular Weight463.30 g/mol
Exact Mass462.07
IUPAC NameN-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide
SMILESC=CC(Oc1cc(NC(=O)c2ccnc(OC)c2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C21H17Cl2FN4O3/c1-3-15(18-13(22)4-5-14(24)19(18)23)31-16-9-12(10-27-20(16)25)28-21(29)11-6-7-26-17(8-11)30-2/h3-10,15H,1H2,2H3,(H2,25,27)(H,28,29)
InChIKeyHIQDFFFPBOWFHQ-UHFFFAOYSA-N
XLogP5.07
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.30
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-amino-5-[2-(2,6-dichloro-3-fluorophenyl)ethoxy]-N-(2-methoxy-4-pyridinyl)pyridazine-3-carboxamide
CID 134261356
2-amino-N-(4-fluoro-3-methoxyphenyl)pyridine-4-carboxamide
CID 114840722
N-(3-chloro-4-fluorophenyl)-2-(2-methoxyethoxy)pyridine-4-carboxamide
CID 119100107
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-ethylbenzamide
CID 58885740
2-methoxy-N-pyridin-3-ylpyridine-4-carboxamide
CID 84580431
3-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]prop-2-ynamide
CID 69459031
N-(3-amino-4-chlorophenyl)-4-fluoro-3-methoxybenzamide
CID 81283716
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(4-fluorophenyl)pyridin-2-amine
CID 21110796
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-[(4-hydroxy-3-methoxyphenyl)methyl]benzamide
CID 58886449
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-pyrrolidin-1-ylmethanone
CID 21110887
4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]-N-(azetidin-3-yl)benzamide
CID 21110873

Frequently Asked Questions

What is the IUPAC name of N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide?
The IUPAC name of N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide (CID 143190257) is N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide?
The canonical SMILES for N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide is C=CC(Oc1cc(NC(=O)c2ccnc(OC)c2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide?
The InChIKey is HIQDFFFPBOWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN4O3/c1-3-15(18-13(22)4-5-14(24)19(18)23)31-16-9-12(10-27-20(16)25)28-21(29)11-6-7-26-17(8-11)30-2/h3-10,15H,1H2,2H3,(H2,25,27)(H,28,29).
What are the key properties of N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide?
N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide has a molecular weight of 463.30 g/mol, XLogP of 5.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)prop-2-enoxy]-3-pyridinyl]-2-methoxypyridine-4-carboxamide is sourced from PubChem (CID 143190257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).