methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate

C16H17N5O4 — CID 118712299

IUPACmethyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccn2)cn1
InChIInChI=1S/C16H17N5O4/c1-3-17-16(24)21-12-5-4-11(9-19-12)14(22)20-13-8-10(6-7-18-13)15(23)25-2/h4-9H,3H2,1-2H3,(H,18,20,22)(H2,17,19,21,24)
InChIKeyPFEBZZSWMOFVHT-UHFFFAOYSA-N
MW343.34 g/mol
LogP1.66
Rot. Bonds5

About methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate

methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate (PubChem CID 118712299) has the molecular formula C16H17N5O4 and a molecular weight of 343.34 g/mol. Its IUPAC name is methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate
PubChem CID118712299
Molecular FormulaC16H17N5O4
Molecular Weight343.34 g/mol
Exact Mass343.13
IUPAC Namemethyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate
SMILESCCNC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccn2)cn1
InChIInChI=1S/C16H17N5O4/c1-3-17-16(24)21-12-5-4-11(9-19-12)14(22)20-13-8-10(6-7-18-13)15(23)25-2/h4-9H,3H2,1-2H3,(H,18,20,22)(H2,17,19,21,24)
InChIKeyPFEBZZSWMOFVHT-UHFFFAOYSA-N
XLogP1.66
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.34
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(propanoylamino)pyridine-4-carboxylate
CID 67508364
methyl 2-[(3-methylbenzoyl)amino]pyridine-4-carboxylate
CID 171703679
methyl 2-(1-bromoethylcarbamoylamino)pyridine-4-carboxylate
CID 143854974
ethane;methyl 6-benzamidopyridine-3-carboxylate
CID 91195390
ethyl 2-(pyridine-3-carbonylamino)pyridine-4-carboxylate
CID 108755424
ethane;1-ethyl-3-(4-methyl-2-pyridinyl)urea
CID 170575881
methyl 2-(2-thiophen-2-ylethylcarbamoylamino)pyridine-4-carboxylate
CID 122141163
6-(ethylcarbamoylamino)-N-(4-methyl-2-oxochromen-7-yl)pyridine-3-carboxamide
CID 122197325
ethyl 2-[(2,6-dimethoxybenzoyl)amino]pyridine-4-carboxylate
CID 108755443
methyl 2-(phosphanylamino)pyridine-4-carboxylate
CID 22084632
methyl 3-[(5-methyl-2-pyridinyl)carbamoyl]benzoate
CID 108799744
methyl 2-[[2-(3,4,5-trimethoxyphenyl)acetyl]amino]pyridine-4-carboxylate
CID 155916138

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate?
The IUPAC name of methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate (CID 118712299) is methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate is CCNC(=O)Nc1ccc(C(=O)Nc2cc(C(=O)OC)ccn2)cn1.
What is the InChIKey of methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate?
The InChIKey is PFEBZZSWMOFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O4/c1-3-17-16(24)21-12-5-4-11(9-19-12)14(22)20-13-8-10(6-7-18-13)15(23)25-2/h4-9H,3H2,1-2H3,(H,18,20,22)(H2,17,19,21,24).
What are the key properties of methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate?
methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate has a molecular weight of 343.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[6-(ethylcarbamoylamino)pyridine-3-carbonyl]amino]pyridine-4-carboxylate is sourced from PubChem (CID 118712299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).