5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid

C14H14N4O3 — CID 63158193

IUPAC5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCc1cccc(CNC(=O)Nc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C14H14N4O3/c1-9-3-2-4-11(17-9)8-16-14(21)18-12-5-10(13(19)20)6-15-7-12/h2-7H,8H2,1H3,(H,19,20)(H2,16,18,21)
InChIKeySWTXJEDFUHIGSS-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.80
Rot. Bonds4

About 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid

5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid (PubChem CID 63158193) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
PubChem CID63158193
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid
SMILESCc1cccc(CNC(=O)Nc2cncc(C(=O)O)c2)n1
InChIInChI=1S/C14H14N4O3/c1-9-3-2-4-11(17-9)8-16-14(21)18-12-5-10(13(19)20)6-15-7-12/h2-7H,8H2,1H3,(H,19,20)(H2,16,18,21)
InChIKeySWTXJEDFUHIGSS-UHFFFAOYSA-N
XLogP1.80
TPSA104.21 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzylcarbamoylamino)pyridine-3-carboxylic acid
CID 63158025
1-[(6-methyl-2-pyridinyl)methyl]-3-(4-phenylphenyl)urea
CID 87008945
5-(1,3-thiazol-4-ylmethylcarbamoylamino)pyridine-3-carboxylic acid
CID 63824516
1-(3,4-difluorophenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258349
1-(4-methoxyphenyl)-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 47258131
2-methyl-N-[3-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]propanamide
CID 87009612
5-[(2-bromophenyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 63157990
ethyl N-[4-[(6-methyl-2-pyridinyl)methylcarbamoylamino]phenyl]carbamate
CID 87009707
5-[(2,2,3,3-tetramethylcyclopropyl)methylcarbamoylamino]pyridine-3-carboxylic acid
CID 79361812
1-[3-(1,3-dithiolan-2-yl)phenyl]-3-[(6-methyl-2-pyridinyl)methyl]urea
CID 78892698
5-(2-methylprop-2-enylcarbamoylamino)pyridine-3-carboxylic acid
CID 114618025
1-[(6-methyl-2-pyridinyl)methyl]-3-[4-(morpholine-4-carbonyl)phenyl]urea
CID 87009815

Frequently Asked Questions

What is the IUPAC name of 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid (CID 63158193) is 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid is Cc1cccc(CNC(=O)Nc2cncc(C(=O)O)c2)n1.
What is the InChIKey of 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
The InChIKey is SWTXJEDFUHIGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-9-3-2-4-11(17-9)8-16-14(21)18-12-5-10(13(19)20)6-15-7-12/h2-7H,8H2,1H3,(H,19,20)(H2,16,18,21).
What are the key properties of 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid?
5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid has a molecular weight of 286.29 g/mol, XLogP of 1.80, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-methyl-2-pyridinyl)methylcarbamoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 63158193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).