N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide

C18H17Cl2N3O3 — CID 178146344

IUPACN-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C18H17Cl2N3O3/c19-12-5-13(16(24)14(20)6-12)17(25)22-9-11-3-4-15(21-8-11)18(26)23-7-10-1-2-10/h3-6,8,10,24H,1-2,7,9H2,(H,22,25)(H,23,26)
InChIKeyJALDRZWQZYIMPY-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.16
Rot. Bonds6

About N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide

N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide (PubChem CID 178146344) has the molecular formula C18H17Cl2N3O3 and a molecular weight of 394.26 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
PubChem CID178146344
Molecular FormulaC18H17Cl2N3O3
Molecular Weight394.26 g/mol
Exact Mass393.06
IUPAC NameN-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CC1)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2O)cn1
InChIInChI=1S/C18H17Cl2N3O3/c19-12-5-13(16(24)14(20)6-12)17(25)22-9-11-3-4-15(21-8-11)18(26)23-7-10-1-2-10/h3-6,8,10,24H,1-2,7,9H2,(H,22,25)(H,23,26)
InChIKeyJALDRZWQZYIMPY-UHFFFAOYSA-N
XLogP3.16
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carbonyl chloride
CID 178146334
3,5-dichloro-2-hydroxy-N-(piperidin-4-ylmethyl)benzamide
CID 178146194
methyl 4-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylate
CID 178146269
3,5-dichloro-2-hydroxy-N-(pyrrolidin-3-ylmethyl)benzamide
CID 178146409
5-[[(5-chloro-2-methylbenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 82871594
5-amino-N-(cyclopropylmethyl)pyridine-2-carboxamide
CID 81319676
N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346
5-[[(5-bromo-2-chlorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81092297
4-chloro-N-(cyclopropylmethyl)-6-methylpyridine-3-carboxamide
CID 81225290
5-[(cyclobutylmethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81096105
5-[[(3-chloro-2-fluorobenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81266256
N-(cyclopropylmethyl)-5-[[4-(trifluoromethoxy)phenoxy]methyl]pyridine-2-carboxamide
CID 71499319

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide (CID 178146344) is N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide is O=C(NCC1CC1)c1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2O)cn1.
What is the InChIKey of N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
The InChIKey is JALDRZWQZYIMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N3O3/c19-12-5-13(16(24)14(20)6-12)17(25)22-9-11-3-4-15(21-8-11)18(26)23-7-10-1-2-10/h3-6,8,10,24H,1-2,7,9H2,(H,22,25)(H,23,26).
What are the key properties of N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide?
N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide has a molecular weight of 394.26 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-[[(3,5-dichloro-2-hydroxybenzoyl)amino]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 178146344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).