methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate

C17H20ClN3O2 — CID 167616925

IUPACmethyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C)nc1Nc1c(C)ccnc1C(C)C
InChIInChI=1S/C17H20ClN3O2/c1-9(2)14-15(10(3)6-7-19-14)21-16-12(17(22)23-5)8-13(18)11(4)20-16/h6-9H,1-5H3,(H,20,21)
InChIKeyDOCQVROFCWCDPP-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.40
Rot. Bonds4

About methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate

methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate (PubChem CID 167616925) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
PubChem CID167616925
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Namemethyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(Cl)c(C)nc1Nc1c(C)ccnc1C(C)C
InChIInChI=1S/C17H20ClN3O2/c1-9(2)14-15(10(3)6-7-19-14)21-16-12(17(22)23-5)8-13(18)11(4)20-16/h6-9H,1-5H3,(H,20,21)
InChIKeyDOCQVROFCWCDPP-UHFFFAOYSA-N
XLogP4.40
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate with MolForge

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Related Compounds

methyl 5-chloro-6-(2-fluoro-6-methoxyphenyl)-2-[[4-methyl-2-(2-propan-2-ylphenyl)-3-pyridinyl]amino]pyridine-3-carboxylate;methyl 5-chloro-6-(2-fluoro-6-methoxyphenyl)-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate
CID 175844267
2,6-dichloro-5-fluoro-N-[(4-methyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 135379062
methyl 2-methyl-6-propan-2-ylpyridine-3-carboxylate
CID 121218957
methyl 5,6-dichloro-2-(difluoromethyl)pyridine-3-carboxylate
CID 130099415
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
methyl 5-chloro-6-(difluoromethyl)-2-fluoropyridine-3-carboxylate
CID 134676704
5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid
CID 159458826
5-chloro-2-(4-fluoro-2-methylanilino)-6-methylpyridine-3-carboxylic acid
CID 155452459
3-chloro-5-methoxycarbonyl-6-methylpyridine-2-carboxylic acid
CID 162377384
methyl 2-methylpyridine-3-carboxylate
CID 7015327
2,5,6-trichloro-N-[(4-ethyl-2-propan-2-yl-3-pyridinyl)carbamoyl]pyridine-3-carboxamide
CID 163428284
methyl 3-amino-2-(difluoromethyl)pyridine-4-carboxylate
CID 130094864

Frequently Asked Questions

What is the IUPAC name of methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?
The IUPAC name of methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate (CID 167616925) is methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate is COC(=O)c1cc(Cl)c(C)nc1Nc1c(C)ccnc1C(C)C.
What is the InChIKey of methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?
The InChIKey is DOCQVROFCWCDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-9(2)14-15(10(3)6-7-19-14)21-16-12(17(22)23-5)8-13(18)11(4)20-16/h6-9H,1-5H3,(H,20,21).
What are the key properties of methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate?
methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate has a molecular weight of 333.82 g/mol, XLogP of 4.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-chloro-6-methyl-2-[(4-methyl-2-propan-2-yl-3-pyridinyl)amino]pyridine-3-carboxylate is sourced from PubChem (CID 167616925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).