N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide

C21H20ClN3O2 — CID 71010092

IUPACN-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(OC(C)C)ccc2Cl)cn1
InChIInChI=1S/C21H20ClN3O2/c1-13(2)27-16-5-6-19(22)17(10-16)15-4-7-20(24-11-15)25-21(26)18-12-23-9-8-14(18)3/h4-13H,1-3H3,(H,24,25,26)
InChIKeySYPRQGATPFXFLK-UHFFFAOYSA-N
MW381.86 g/mol
LogP5.14
Rot. Bonds5

About N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide

N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide (PubChem CID 71010092) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
PubChem CID71010092
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC NameN-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide
SMILESCc1ccncc1C(=O)Nc1ccc(-c2cc(OC(C)C)ccc2Cl)cn1
InChIInChI=1S/C21H20ClN3O2/c1-13(2)27-16-5-6-19(22)17(10-16)15-4-7-20(24-11-15)25-21(26)18-12-23-9-8-14(18)3/h4-13H,1-3H3,(H,24,25,26)
InChIKeySYPRQGATPFXFLK-UHFFFAOYSA-N
XLogP5.14
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.86
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chloro-5-cyclopropyloxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 70978019
methyl 4-chloro-3-[6-[(2-methylbenzoyl)amino]-3-pyridinyl]benzoate
CID 24775351
4-methyl-N-[5-[2-methyl-5-(1-methylpyrazol-4-yl)phenyl]-2-pyridinyl]pyridine-3-carboxamide
CID 71010177
N-[5-[2-chloro-5-[[6-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 71010141
N-[5-[5-(fluoromethylsulfonyl)-2-methylphenyl]-2-pyridinyl]-4-methylpyridine-3-carboxamide
CID 90227249
3-chloro-N-[5-(2-chloro-4,5-dihydroxyphenyl)-2-pyridinyl]pyridine-4-carboxamide
CID 137152670
N-(5-bromo-4-methyl-2-pyridinyl)-4-chloropyridine-3-carboxamide
CID 81232858
N-[5-(2-ethyl-5-methoxyphenyl)pyrazin-2-yl]-4-methylpyridine-3-carboxamide
CID 126722767
5-chloro-N-(5-phenyl-2-pyridinyl)-6-propan-2-yloxypyridine-3-carboxamide
CID 55951557
N-(5-chloro-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 33327699
N-(5-phenyl-2-pyridinyl)-4-propan-2-yloxybenzamide
CID 24949251
4-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 81230238

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide (CID 71010092) is N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide is Cc1ccncc1C(=O)Nc1ccc(-c2cc(OC(C)C)ccc2Cl)cn1.
What is the InChIKey of N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
The InChIKey is SYPRQGATPFXFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-13(2)27-16-5-6-19(22)17(10-16)15-4-7-20(24-11-15)25-21(26)18-12-23-9-8-14(18)3/h4-13H,1-3H3,(H,24,25,26).
What are the key properties of N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide?
N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-propan-2-yloxyphenyl)-2-pyridinyl]-4-methylpyridine-3-carboxamide is sourced from PubChem (CID 71010092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).