methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate

C13H14N4O2 — CID 114090358

IUPACmethyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Nc2cnccc2C)ncc1N
InChIInChI=1S/C13H14N4O2/c1-8-3-4-15-7-11(8)17-12-5-9(13(18)19-2)10(14)6-16-12/h3-7H,14H2,1-2H3,(H,16,17)
InChIKeyNSLCSZWWDGNOKE-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.90
Rot. Bonds3

About methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate

methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate (PubChem CID 114090358) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate
PubChem CID114090358
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Namemethyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate
SMILESCOC(=O)c1cc(Nc2cnccc2C)ncc1N
InChIInChI=1S/C13H14N4O2/c1-8-3-4-15-7-11(8)17-12-5-9(13(18)19-2)10(14)6-16-12/h3-7H,14H2,1-2H3,(H,16,17)
InChIKeyNSLCSZWWDGNOKE-UHFFFAOYSA-N
XLogP1.90
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

2-amino-5-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 114195109
methyl 4-methylpyridine-3-carboxylate
CID 10877301
methyl 6-[(3-methyl-4-pyridinyl)amino]pyridine-3-carboxylate
CID 66524293
5-amino-2-[(2,4-dimethyl-3-pyridinyl)amino]pyridine-4-carboxamide
CID 112741975
5-amino-2-[(4-methyl-3-pyridinyl)amino]benzamide
CID 55202661
5-amino-2-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxamide
CID 114090671
5-amino-N,N-dimethyl-2-[[6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]amino]pyridine-4-carboxamide
CID 146322877
methyl 5-amino-2-(2-thiophen-3-ylethylamino)pyridine-4-carboxylate
CID 114090203
methyl 5-amino-2-(4-methoxybutan-2-ylamino)pyridine-4-carboxylate
CID 114090411
2-N-isoquinolin-5-yl-4-methylpyridine-2,5-diamine
CID 79173234
methyl 5-amino-2-(2-methylpentan-3-ylamino)pyridine-4-carboxylate
CID 114090196
methyl N-(4-methyl-3-pyridinyl)carbamate
CID 11672725

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate (CID 114090358) is methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate is COC(=O)c1cc(Nc2cnccc2C)ncc1N.
What is the InChIKey of methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate?
The InChIKey is NSLCSZWWDGNOKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-8-3-4-15-7-11(8)17-12-5-9(13(18)19-2)10(14)6-16-12/h3-7H,14H2,1-2H3,(H,16,17).
What are the key properties of methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate?
methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate has a molecular weight of 258.28 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-[(4-methyl-3-pyridinyl)amino]pyridine-4-carboxylate is sourced from PubChem (CID 114090358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).