N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide

C19H23N3O2 — CID 75533211

IUPACN-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC2CCC(O)CC2)ccn1
InChIInChI=1S/C19H23N3O2/c23-17-8-6-15(7-9-17)22-16-10-11-20-18(12-16)19(24)21-13-14-4-2-1-3-5-14/h1-5,10-12,15,17,23H,6-9,13H2,(H,20,22)(H,21,24)
InChIKeyKVYJLYWTVRIFRW-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.73
Rot. Bonds5

About N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide

N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide (PubChem CID 75533211) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide
PubChem CID75533211
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide
SMILESO=C(NCc1ccccc1)c1cc(NC2CCC(O)CC2)ccn1
InChIInChI=1S/C19H23N3O2/c23-17-8-6-15(7-9-17)22-16-10-11-20-18(12-16)19(24)21-13-14-4-2-1-3-5-14/h1-5,10-12,15,17,23H,6-9,13H2,(H,20,22)(H,21,24)
InChIKeyKVYJLYWTVRIFRW-UHFFFAOYSA-N
XLogP2.73
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide (CID 75533211) is N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide is O=C(NCc1ccccc1)c1cc(NC2CCC(O)CC2)ccn1.
What is the InChIKey of N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide?
The InChIKey is KVYJLYWTVRIFRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c23-17-8-6-15(7-9-17)22-16-10-11-20-18(12-16)19(24)21-13-14-4-2-1-3-5-14/h1-5,10-12,15,17,23H,6-9,13H2,(H,20,22)(H,21,24).
What are the key properties of N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide?
N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 2.73, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-[(4-hydroxycyclohexyl)amino]pyridine-2-carboxamide is sourced from PubChem (CID 75533211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).