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

C23H22Cl2FN5O2 — CID 66550113

IUPAC2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H22Cl2FN5O2/c1-13(20-17(24)3-4-18(26)21(20)25)30-23(32)16-10-15(12-29-22(16)27)14-2-5-19(28-11-14)31-6-8-33-9-7-31/h2-5,10-13H,6-9H2,1H3,(H2,27,29)(H,30,32)
InChIKeyOMMPZQKKITXHSS-UHFFFAOYSA-N
MW490.37 g/mol
LogP4.50
Rot. Bonds5

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

2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 66550113) has the molecular formula C23H22Cl2FN5O2 and a molecular weight of 490.37 g/mol. Its IUPAC name is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID66550113
Molecular FormulaC23H22Cl2FN5O2
Molecular Weight490.37 g/mol
Exact Mass489.11
IUPAC Name2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
SMILESCC(NC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl
InChIInChI=1S/C23H22Cl2FN5O2/c1-13(20-17(24)3-4-18(26)21(20)25)30-23(32)16-10-15(12-29-22(16)27)14-2-5-19(28-11-14)31-6-8-33-9-7-31/h2-5,10-13H,6-9H2,1H3,(H2,27,29)(H,30,32)
InChIKeyOMMPZQKKITXHSS-UHFFFAOYSA-N
XLogP4.50
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.37
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(2,6-Dichlorophenyl)-1-methyl-7-{[3-(morpholin-4-yl)propyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328710
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)butyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328711
3-(2,6-Dichlorophenyl)-1-methyl-7-{[4-(morpholin-4-yl)phenyl]amino}-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328721
PD-173952
CID 5328733
(S)-5-chloro-6-(4-(1-(4-chloro-2-fluorobenzyl)piperidin-4-yl)-3-ethylpiperazin-1-yl)-N-ethylnicotinamide
CID 11569938
4-[(4-chlorophenyl)carbamoyl-(2-morpholin-4-ylethyl)amino]-N-(5-fluoro-2-pyridinyl)-3-methylbenzamide
CID 168291556
6-(2-chlorophenyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094043
4-[[2-(5-chloro-2-fluoro-phenyl)-5-methoxy-pyrimidin-4-yl]amino]-N-[3-(2-methyl-1-piperidyl)propyl]pyridine-3-carboxamide
CID 11951503
5-Chloro-N-(5-chloro-pyridin-2-yl)-2-(4-morpholin-4-ylmethyl-benzoylamino)-benzamide
CID 18727841
N-(5-chloropyridin-2-yl)-2-(4-(imino(morpholino)methyl)benzamido)benzamide
CID 18728109
6-(4-acetylpiperazin-1-yl)-N-(4-chloro-3-(pyridin-2-yl)phenyl)-2-methylnicotinamide
CID 50898448
N-(4-chloro-3-pyridin-2-ylphenyl)-6-(2-hydroxyethylamino)-2-methylpyridine-3-carboxamide
CID 52943290

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide (CID 66550113) is 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide is CC(NC(=O)c1cc(-c2ccc(N3CCOCC3)nc2)cnc1N)c1c(Cl)ccc(F)c1Cl.
What is the InChIKey of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is OMMPZQKKITXHSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2FN5O2/c1-13(20-17(24)3-4-18(26)21(20)25)30-23(32)16-10-15(12-29-22(16)27)14-2-5-19(28-11-14)31-6-8-33-9-7-31/h2-5,10-13H,6-9H2,1H3,(H2,27,29)(H,30,32).
What are the key properties of 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide?
2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 490.37 g/mol, XLogP of 4.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[1-(2,6-dichloro-3-fluorophenyl)ethyl]-5-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 66550113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).