4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

C18H15Cl2N3O2 — CID 78879326

IUPAC4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-9-15(23-16(14)20)17(24)22-10-13-7-4-8-21-18(13)25-11-12-5-2-1-3-6-12/h1-9,23H,10-11H2,(H,22,24)
InChIKeySGBYDCQFXYZAKE-UHFFFAOYSA-N
MW376.24 g/mol
LogP4.23
Rot. Bonds6

About 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide

4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 78879326) has the molecular formula C18H15Cl2N3O2 and a molecular weight of 376.24 g/mol. Its IUPAC name is 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
PubChem CID78879326
Molecular FormulaC18H15Cl2N3O2
Molecular Weight376.24 g/mol
Exact Mass375.05
IUPAC Name4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide
SMILESO=C(NCc1cccnc1OCc1ccccc1)c1cc(Cl)c(Cl)[nH]1
InChIInChI=1S/C18H15Cl2N3O2/c19-14-9-15(23-16(14)20)17(24)22-10-13-7-4-8-21-18(13)25-11-12-5-2-1-3-6-12/h1-9,23H,10-11H2,(H,22,24)
InChIKeySGBYDCQFXYZAKE-UHFFFAOYSA-N
XLogP4.23
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.24
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-2-fluoro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]acetamide
CID 167961837
N-[(2-phenylmethoxy-3-pyridinyl)methyl]furan-3-carboxamide
CID 47042526
5-phenyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrazole-4-carboxamide
CID 60515107
N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-indazole-7-carboxamide
CID 47057730
(E)-2-methyl-N-[(2-phenylmethoxy-3-pyridinyl)methyl]pent-2-enamide
CID 94186199
3-(2-chlorophenyl)-N-[[2-(2-methoxyethoxy)-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
CID 47036298
4-amino-3-nitro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]benzamide
CID 60515075
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]-4,5-dichloro-1H-pyrrole-2-carboxamide
CID 31312075
(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]-N-(pyridin-2-ylmethyl)benzamide
CID 18973973
4,5-dichloro-N-(1H-pyrazol-5-ylmethyl)-1H-pyrrole-2-carboxamide
CID 61216613
(2S)-2-[(4,5-dichloro-1H-pyrrole-2-carbonyl)amino]-3-phenylpropanoic acid
CID 29033778

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide (CID 78879326) is 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is O=C(NCc1cccnc1OCc1ccccc1)c1cc(Cl)c(Cl)[nH]1.
What is the InChIKey of 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is SGBYDCQFXYZAKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O2/c19-14-9-15(23-16(14)20)17(24)22-10-13-7-4-8-21-18(13)25-11-12-5-2-1-3-6-12/h1-9,23H,10-11H2,(H,22,24).
What are the key properties of 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide?
4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 376.24 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-N-[(2-phenylmethoxy-3-pyridinyl)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 78879326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).