4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid

C14H18N2O4 — CID 114951144

IUPAC4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-16(9-14(20)5-2-3-6-14)12(17)10-4-7-15-11(8-10)13(18)19/h4,7-8,20H,2-3,5-6,9H2,1H3,(H,18,19)
InChIKeyVIERIVLSPZICGQ-UHFFFAOYSA-N
MW278.31 g/mol
LogP1.16
Rot. Bonds4

About 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid

4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid (PubChem CID 114951144) has the molecular formula C14H18N2O4 and a molecular weight of 278.31 g/mol. Its IUPAC name is 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
PubChem CID114951144
Molecular FormulaC14H18N2O4
Molecular Weight278.31 g/mol
Exact Mass278.13
IUPAC Name4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid
SMILESCN(CC1(O)CCCC1)C(=O)c1ccnc(C(=O)O)c1
InChIInChI=1S/C14H18N2O4/c1-16(9-14(20)5-2-3-6-14)12(17)10-4-7-15-11(8-10)13(18)19/h4,7-8,20H,2-3,5-6,9H2,1H3,(H,18,19)
InChIKeyVIERIVLSPZICGQ-UHFFFAOYSA-N
XLogP1.16
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 1066
Fusaric Acid
CID 3442
2,4-Pyridinedicarboxylic acid
CID 10365
2-Carboxy-3-pyridineacetic acid
CID 3080554
2-(((2-((2-(Dimethylamino)ethyl)(ethyl)amino)-2-oxoethyl)amino)methyl)isonicotinic acid
CID 86346639
5-Methylpicolinic acid
CID 199575
1-Benzyl-1H-pyrrole-2-carboxylic acid
CID 14985839
Lutidinate
CID 6950550
Picolinic acid, 5-pentyl-
CID 212527
Picolinic acid, 5-heptyl-
CID 212529
Picolinic acid, 5-propyl-
CID 217663
5-Ethylpicolinic acid
CID 120375

Frequently Asked Questions

What is the IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid (CID 114951144) is 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid is CN(CC1(O)CCCC1)C(=O)c1ccnc(C(=O)O)c1.
What is the InChIKey of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
The InChIKey is VIERIVLSPZICGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O4/c1-16(9-14(20)5-2-3-6-14)12(17)10-4-7-15-11(8-10)13(18)19/h4,7-8,20H,2-3,5-6,9H2,1H3,(H,18,19).
What are the key properties of 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid?
4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid has a molecular weight of 278.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-hydroxycyclopentyl)methyl-methylcarbamoyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 114951144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).