3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid

C14H20N2O3 — CID 103968372

IUPAC3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCC1(CO)CCCCC1
InChIInChI=1S/C14H20N2O3/c17-10-14(5-2-1-3-6-14)9-16-12-8-15-7-4-11(12)13(18)19/h4,7-8,16-17H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyHCCSAFYGNBLIOF-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.13
Rot. Bonds5

About 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid

3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid (PubChem CID 103968372) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
PubChem CID103968372
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1NCC1(CO)CCCCC1
InChIInChI=1S/C14H20N2O3/c17-10-14(5-2-1-3-6-14)9-16-12-8-15-7-4-11(12)13(18)19/h4,7-8,16-17H,1-3,5-6,9-10H2,(H,18,19)
InChIKeyHCCSAFYGNBLIOF-UHFFFAOYSA-N
XLogP2.13
TPSA82.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[1-[[(3-bromo-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 104777217
[1-[[(3-chloro-4-pyridinyl)amino]methyl]cyclohexyl]methanol
CID 112697538
2,3-difluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103967280
4-[(1-hydroxycyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 114093576
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 115362736
2-[[1-(hydroxymethyl)cyclohexyl]methylamino]-4-methoxybenzoic acid
CID 103968378
[1-[[(3-fluoro-4-pyridinyl)amino]methyl]cyclopropyl]methanol
CID 164657514
2-bromo-3-fluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 107540461
3-[[1-(hydroxymethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 115363234
2-[[1-(hydroxymethyl)cyclopentyl]methylamino]-5-methylbenzoic acid
CID 115360531
3-fluoro-4-[[1-(hydroxymethyl)cyclohexyl]methylamino]benzoic acid
CID 103968375
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid (CID 103968372) is 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid is O=C(O)c1ccncc1NCC1(CO)CCCCC1.
What is the InChIKey of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid?
The InChIKey is HCCSAFYGNBLIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c17-10-14(5-2-1-3-6-14)9-16-12-8-15-7-4-11(12)13(18)19/h4,7-8,16-17H,1-3,5-6,9-10H2,(H,18,19).
What are the key properties of 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid?
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid has a molecular weight of 264.32 g/mol, XLogP of 2.13, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 103968372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).