methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate

C30H30N6O6 — CID 139191218

IUPACmethyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1C(=O)Nc1cccc(C)n1.COC(=O)c1ccc(C)nc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/2C15H15N3O3/c2*1-9-5-4-6-12(16-9)18-14(19)13-11(15(20)21-3)8-7-10(2)17-13/h2*4-8H,1-3H3,(H,16,18,19)
InChIKeyXMHPSZFQEYQWIZ-UHFFFAOYSA-N
MW570.61 g/mol
LogP4.26
Rot. Bonds6

About methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate

methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate (PubChem CID 139191218) has the molecular formula C30H30N6O6 and a molecular weight of 570.61 g/mol. Its IUPAC name is methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate
PubChem CID139191218
Molecular FormulaC30H30N6O6
Molecular Weight570.61 g/mol
Exact Mass570.22
IUPAC Namemethyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(C)nc1C(=O)Nc1cccc(C)n1.COC(=O)c1ccc(C)nc1C(=O)Nc1cccc(C)n1
InChIInChI=1S/2C15H15N3O3/c2*1-9-5-4-6-12(16-9)18-14(19)13-11(15(20)21-3)8-7-10(2)17-13/h2*4-8H,1-3H3,(H,16,18,19)
InChIKeyXMHPSZFQEYQWIZ-UHFFFAOYSA-N
XLogP4.26
TPSA162.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500570.61
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

Methyl 6-({6-[6-(methoxycarbonyl)pyridine-2-amido]pyridin-2-YL}carbamoyl)pyridine-2-carboxylate
CID 3969909
Methyl 6-[[6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;dihydrate
CID 139123612
22-H2O.cif
CID 139123616
Methyl 6-[(6-benzamidopyridine-2-carbonyl)amino]pyridine-2-carboxylate
CID 139181922
benzyl N-[6-[[6-[[6-[[6-[(6-amino-2-pyridinyl)carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamoyl]-2-pyridinyl]carbamate;dihydrate
CID 139190817
Methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate
CID 139191219
Methyl 2-(6-acetamido-2-pyridinyl)-6-methylpyridine-4-carboxylate
CID 164675449
Methyl 6-[[6-[[6-[[6-[[6-(phenylmethoxycarbonylamino)pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carbonyl]amino]pyridine-2-carboxylate;dihydrate
CID 168336452
Dimethyl 2-anilino-6-phenylpyridine-3,4-dicarboxylate
CID 10713660
Methyl 6-(5-methoxycarbonyl-2-pyridinyl)-2-(pyridin-2-ylamino)pyridine-3-carboxylate
CID 69231403
Ethyl 2-acetamido-6-(6-acetamido-4-ethoxycarbonyl-2-pyridinyl)pyridine-4-carboxylate
CID 140237400
8-amino-6-methyl-3,4-dihydropyrano[3,4-c]pyridin-1-one;N-(6-methyl-1-oxo-3,4-dihydropyrano[3,4-c]pyridin-8-yl)acetamide
CID 157100501

Frequently Asked Questions

What is the IUPAC name of methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate (CID 139191218) is methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate is COC(=O)c1ccc(C)nc1C(=O)Nc1cccc(C)n1.COC(=O)c1ccc(C)nc1C(=O)Nc1cccc(C)n1.
What is the InChIKey of methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
The InChIKey is XMHPSZFQEYQWIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C15H15N3O3/c2*1-9-5-4-6-12(16-9)18-14(19)13-11(15(20)21-3)8-7-10(2)17-13/h2*4-8H,1-3H3,(H,16,18,19).
What are the key properties of methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate?
methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate has a molecular weight of 570.61 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methyl-2-[(6-methyl-2-pyridinyl)carbamoyl]pyridine-3-carboxylate is sourced from PubChem (CID 139191218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).