2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide

C21H18Cl2F2N4O — CID 10114879

IUPAC2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1cc(NCC(F)(F)c2ccccn2)ncc1Cl)NCc1cccc(Cl)c1
InChIInChI=1S/C21H18Cl2F2N4O/c22-16-5-3-4-14(8-16)11-28-20(30)10-15-9-19(27-12-17(15)23)29-13-21(24,25)18-6-1-2-7-26-18/h1-9,12H,10-11,13H2,(H,27,29)(H,28,30)
InChIKeyNHPLXXFWBRDWKS-UHFFFAOYSA-N
MW451.30 g/mol
LogP4.85
Rot. Bonds8

About 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide

2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide (PubChem CID 10114879) has the molecular formula C21H18Cl2F2N4O and a molecular weight of 451.30 g/mol. Its IUPAC name is 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
PubChem CID10114879
Molecular FormulaC21H18Cl2F2N4O
Molecular Weight451.30 g/mol
Exact Mass450.08
IUPAC Name2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide
SMILESO=C(Cc1cc(NCC(F)(F)c2ccccn2)ncc1Cl)NCc1cccc(Cl)c1
InChIInChI=1S/C21H18Cl2F2N4O/c22-16-5-3-4-14(8-16)11-28-20(30)10-15-9-19(27-12-17(15)23)29-13-21(24,25)18-6-1-2-7-26-18/h1-9,12H,10-11,13H2,(H,27,29)(H,28,30)
InChIKeyNHPLXXFWBRDWKS-UHFFFAOYSA-N
XLogP4.85
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.30
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
2-[6-chloro-3-[[2,2-difluoro-2-(1-oxidopyridin-1-ium-2-yl)ethyl]amino]-2-oxopyrazin-1-yl]-N-[(3-chlorophenyl)methyl]acetamide
CID 9848165
(3-Chloro-4-fluorophenyl)-[4-[[[6-(ethylamino)-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10812183
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[6-(methylamino)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 11795765
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CID 24857903
6-[2,6-dichloro-4-(trifluoromethyl)anilino]-9H-pyrido[4,3-c][1,6]naphthyridin-10-one
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CID 67222084
Nvp-cee321
CID 129165016
Pyrazine-Pyridine Biheteroaryl 62
CID 5330393
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 36
CID 5327883
(3-Chloro-4-fluorophenyl)-[4-[[[6-(ethylamino)-5-methyl-2-pyridinyl]methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10550911
N-(3-Chloro-benzyl)-2-[6-chloro-3-(2,2-difluoro-2-pyridin-2-yl-ethylamino)-2-oxo-2H-pyrazin-1-yl]-acetamide
CID 11317308

Frequently Asked Questions

What is the IUPAC name of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The IUPAC name of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide (CID 10114879) is 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide.
What is the SMILES notation for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The canonical SMILES for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide is O=C(Cc1cc(NCC(F)(F)c2ccccn2)ncc1Cl)NCc1cccc(Cl)c1.
What is the InChIKey of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
The InChIKey is NHPLXXFWBRDWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2F2N4O/c22-16-5-3-4-14(8-16)11-28-20(30)10-15-9-19(27-12-17(15)23)29-13-21(24,25)18-6-1-2-7-26-18/h1-9,12H,10-11,13H2,(H,27,29)(H,28,30).
What are the key properties of 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide?
2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide has a molecular weight of 451.30 g/mol, XLogP of 4.85, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-chloro-2-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-4-pyridinyl]-N-[(3-chlorophenyl)methyl]acetamide is sourced from PubChem (CID 10114879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).