5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid

C12H13N5O3 — CID 81095436

IUPAC5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCn1cc(NC(=O)NCc2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C12H13N5O3/c1-17-7-9(6-15-17)16-12(20)14-5-8-2-3-10(11(18)19)13-4-8/h2-4,6-7H,5H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyPKPHASJCALLRTF-UHFFFAOYSA-N
MW275.27 g/mol
LogP0.83
Rot. Bonds4

About 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid

5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (PubChem CID 81095436) has the molecular formula C12H13N5O3 and a molecular weight of 275.27 g/mol. Its IUPAC name is 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
PubChem CID81095436
Molecular FormulaC12H13N5O3
Molecular Weight275.27 g/mol
Exact Mass275.10
IUPAC Name5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
SMILESCn1cc(NC(=O)NCc2ccc(C(=O)O)nc2)cn1
InChIInChI=1S/C12H13N5O3/c1-17-7-9(6-15-17)16-12(20)14-5-8-2-3-10(11(18)19)13-4-8/h2-4,6-7H,5H2,1H3,(H,18,19)(H2,14,16,20)
InChIKeyPKPHASJCALLRTF-UHFFFAOYSA-N
XLogP0.83
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 50.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[(4-methylpiperazin-1-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 83017675
4-[2-[(1-methylpyrazol-4-yl)carbamoylamino]ethyl]benzoic acid
CID 61198132
1-(1-benzylpyrazol-4-yl)-3-[(1-methylpyrazol-4-yl)methyl]urea
CID 56818896
2-[4-[(1-methylpyrazol-4-yl)carbamoylamino]phenyl]acetic acid
CID 61199619
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
5-[[(2-methylcyclopropyl)methylcarbamoylamino]methyl]pyridine-2-carboxylic acid
CID 113464038
5-[[(2-iodophenyl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81090851
5-[(2-pyrazol-1-ylethylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090461
5-[[[2-(dimethylamino)-2-oxoethyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096284
5-[[[3-(methylamino)-3-oxopropyl]carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81096535
5-[[(5-bromo-1,3-thiazol-2-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid
CID 81095291
5-[(3-sulfamoylpropylcarbamoylamino)methyl]pyridine-2-carboxylic acid
CID 81090654

Frequently Asked Questions

What is the IUPAC name of 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid (CID 81095436) is 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is Cn1cc(NC(=O)NCc2ccc(C(=O)O)nc2)cn1.
What is the InChIKey of 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
The InChIKey is PKPHASJCALLRTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O3/c1-17-7-9(6-15-17)16-12(20)14-5-8-2-3-10(11(18)19)13-4-8/h2-4,6-7H,5H2,1H3,(H,18,19)(H2,14,16,20).
What are the key properties of 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid?
5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid has a molecular weight of 275.27 g/mol, XLogP of 0.83, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(1-methylpyrazol-4-yl)carbamoylamino]methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 81095436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).