2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid

C15H21N3O3 — CID 114325267

IUPAC2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCC1(NC(=O)NCc2cc(C(=O)O)ccn2)CCCCC1
InChIInChI=1S/C15H21N3O3/c1-15(6-3-2-4-7-15)18-14(21)17-10-12-9-11(13(19)20)5-8-16-12/h5,8-9H,2-4,6-7,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyPGLLUVFEZYOEPN-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.30
Rot. Bonds4

About 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid

2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid (PubChem CID 114325267) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
PubChem CID114325267
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid
SMILESCC1(NC(=O)NCc2cc(C(=O)O)ccn2)CCCCC1
InChIInChI=1S/C15H21N3O3/c1-15(6-3-2-4-7-15)18-14(21)17-10-12-9-11(13(19)20)5-8-16-12/h5,8-9H,2-4,6-7,10H2,1H3,(H,19,20)(H2,17,18,21)
InChIKeyPGLLUVFEZYOEPN-UHFFFAOYSA-N
XLogP2.30
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
2-[(cycloheptylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325102
2-[(butan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277661
4-[[(1-methylcyclopentyl)carbamoylamino]methyl]benzoic acid
CID 64686468
2-[(pentan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277665
2-[(2-methylsulfanylpropylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113466776
2-[[[2-(1-methoxycyclobutyl)acetyl]amino]methyl]pyridine-4-carboxylic acid
CID 103555742
2-[(pyridin-4-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325097
2-[(1-methoxypropan-2-ylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 113277666
2-[(1,2-oxazol-3-ylmethylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 114325404
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
CID 112532887
3-[2-[(1-methylcyclopentyl)carbamoylamino]ethyl]benzoic acid
CID 64686662

Frequently Asked Questions

What is the IUPAC name of 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid (CID 114325267) is 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid is CC1(NC(=O)NCc2cc(C(=O)O)ccn2)CCCCC1.
What is the InChIKey of 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
The InChIKey is PGLLUVFEZYOEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-15(6-3-2-4-7-15)18-14(21)17-10-12-9-11(13(19)20)5-8-16-12/h5,8-9H,2-4,6-7,10H2,1H3,(H,19,20)(H2,17,18,21).
What are the key properties of 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid?
2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.30, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1-methylcyclohexyl)carbamoylamino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114325267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).