1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide

C21H14Cl2FN5O2 — CID 69083143

IUPAC1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1cnc(Oc2ccc(F)cc2)nc1)c1cccn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl2FN5O2/c22-14-8-17(23)19(25-12-14)29-7-1-2-18(29)20(30)26-9-13-10-27-21(28-11-13)31-16-5-3-15(24)4-6-16/h1-8,10-12H,9H2,(H,26,30)
InChIKeyNAKHTYZHRMMCDE-UHFFFAOYSA-N
MW458.28 g/mol
LogP4.83
Rot. Bonds6

About 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide

1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide (PubChem CID 69083143) has the molecular formula C21H14Cl2FN5O2 and a molecular weight of 458.28 g/mol. Its IUPAC name is 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide.

Molecular Properties

Compound Name1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
PubChem CID69083143
Molecular FormulaC21H14Cl2FN5O2
Molecular Weight458.28 g/mol
Exact Mass457.05
IUPAC Name1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide
SMILESO=C(NCc1cnc(Oc2ccc(F)cc2)nc1)c1cccn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C21H14Cl2FN5O2/c22-14-8-17(23)19(25-12-14)29-7-1-2-18(29)20(30)26-9-13-10-27-21(28-11-13)31-16-5-3-15(24)4-6-16/h1-8,10-12H,9H2,(H,26,30)
InChIKeyNAKHTYZHRMMCDE-UHFFFAOYSA-N
XLogP4.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.28
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide with MolForge

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Related Compounds

N-[[4-(4-cyanophenoxy)phenyl]methyl]-1-(3,5-dichloro-2-pyridinyl)pyrrole-2-carboxamide
CID 69083739
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[(4-methoxyphenyl)methyl]pyrrole-2-carboxamide
CID 3702021
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-4-ylmethyl)pyrrole-2-carboxamide
CID 69083553
2-(3,5-dichloro-2-pyridinyl)-N-[[4-[4-(trifluoromethyl)phenoxy]phenyl]methyl]pyrazole-3-carboxamide
CID 69084483
1-(2-ethylphenyl)-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrrole-2-carboxamide
CID 69085086
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[[4-(4-fluorophenoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69086236
2-(3,5-dichloro-2-pyridinyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]pyrazole-3-carboxamide
CID 69083738
[4-[2-[[4-(4-fluorophenoxy)phenyl]methylcarbamoyl]pyrrol-1-yl]-3-(trifluoromethyl)phenyl]methylcarbamic acid
CID 69086319
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(4-phenoxyphenyl)pyrrole-2-carboxamide
CID 69084581
N-[(4-fluorophenyl)methyl]-4-pyrimidin-2-yloxybenzamide
CID 70703225
4-chloro-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]-1H-pyrrole-2-carboxamide
CID 87020258
N-[(4-fluorophenyl)methyl]-3-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116852

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide?
The IUPAC name of 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide (CID 69083143) is 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide.
What is the SMILES notation for 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide?
The canonical SMILES for 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide is O=C(NCc1cnc(Oc2ccc(F)cc2)nc1)c1cccn1-c1ncc(Cl)cc1Cl.
What is the InChIKey of 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide?
The InChIKey is NAKHTYZHRMMCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl2FN5O2/c22-14-8-17(23)19(25-12-14)29-7-1-2-18(29)20(30)26-9-13-10-27-21(28-11-13)31-16-5-3-15(24)4-6-16/h1-8,10-12H,9H2,(H,26,30).
What are the key properties of 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide?
1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide has a molecular weight of 458.28 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-2-pyridinyl)-N-[[2-(4-fluorophenoxy)pyrimidin-5-yl]methyl]pyrrole-2-carboxamide is sourced from PubChem (CID 69083143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).