5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

C13H18ClN3O2 — CID 106119006

IUPAC5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H18ClN3O2/c14-12-5-10(11(15)7-16-12)13(19)17-6-8-1-3-9(18)4-2-8/h5,7-9,18H,1-4,6,15H2,(H,17,19)
InChIKeyLWAHQHJGJMDTOL-UHFFFAOYSA-N
MW283.76 g/mol
LogP1.60
Rot. Bonds3

About 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 106119006) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID106119006
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESNc1cnc(Cl)cc1C(=O)NCC1CCC(O)CC1
InChIInChI=1S/C13H18ClN3O2/c14-12-5-10(11(15)7-16-12)13(19)17-6-8-1-3-9(18)4-2-8/h5,7-9,18H,1-4,6,15H2,(H,17,19)
InChIKeyLWAHQHJGJMDTOL-UHFFFAOYSA-N
XLogP1.60
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-chloro-N-(cyclopropylmethyl)pyridine-4-carboxamide
CID 130572235
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
6-chloro-4-(cyclopropylamino)-N-(cyclopropylmethyl)pyridine-3-carboxamide
CID 176871377
2-amino-5-bromo-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106137131
2-amino-4,5-difluoro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118792
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
5-amino-2-chloro-N-[(1S,2S)-2-hydroxycyclohexyl]pyridine-4-carboxamide
CID 114089621
3-amino-2-hydroxy-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119090
5-chloro-2-fluoro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 114146514
4-amino-2-chloro-N-[(3-hydroxycyclopentyl)methyl]benzamide
CID 106118704
2-amino-4-chloro-N-(cyclopropylmethyl)benzamide
CID 16793100
2-amino-N-[(3-hydroxycyclopentyl)methyl]-5-methoxybenzamide
CID 106118755

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (CID 106119006) is 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is Nc1cnc(Cl)cc1C(=O)NCC1CCC(O)CC1.
What is the InChIKey of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is LWAHQHJGJMDTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O2/c14-12-5-10(11(15)7-16-12)13(19)17-6-8-1-3-9(18)4-2-8/h5,7-9,18H,1-4,6,15H2,(H,17,19).
What are the key properties of 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 283.76 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 106119006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).