N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide

C24H22N4O2 — CID 60553120

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C24H22N4O2/c29-23(19-7-6-14-25-22(19)28-15-4-1-5-16-28)26-18-12-10-17(11-13-18)24-27-20-8-2-3-9-21(20)30-24/h2-3,6-14H,1,4-5,15-16H2,(H,26,29)
InChIKeyPUGPRCVXRBKBGV-UHFFFAOYSA-N
MW398.47 g/mol
LogP5.13
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide (PubChem CID 60553120) has the molecular formula C24H22N4O2 and a molecular weight of 398.47 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
PubChem CID60553120
Molecular FormulaC24H22N4O2
Molecular Weight398.47 g/mol
Exact Mass398.17
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1N1CCCCC1
InChIInChI=1S/C24H22N4O2/c29-23(19-7-6-14-25-22(19)28-15-4-1-5-16-28)26-18-12-10-17(11-13-18)24-27-20-8-2-3-9-21(20)30-24/h2-3,6-14H,1,4-5,15-16H2,(H,26,29)
InChIKeyPUGPRCVXRBKBGV-UHFFFAOYSA-N
XLogP5.13
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(azepan-1-yl)-N-naphthalen-2-ylpyridine-3-carboxamide
CID 84576268
N-[4-(1,3-benzoxazol-2-yl)phenyl]pyridine-3-carboxamide
CID 778969
N-(4-phenoxyphenyl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84575248
N-[4-(1,3-benzoxazol-2-yl)phenyl]cyclohexanecarboxamide
CID 777186
N-[4-(methylcarbamoyl)phenyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26785735
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-[4-(cyclopropylcarbamoylamino)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 47062568
N-(1,3-benzodioxol-5-yl)-2-piperidin-1-ylpyridine-3-carboxamide
CID 46484817
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 37162940
2-chloro-N-[2-(4-phenylphenyl)-1,3-benzoxazol-5-yl]pyridine-3-carboxamide
CID 4663208
N-[4-(1,3-benzoxazol-2-yl)phenyl]-5-iodofuran-2-carboxamide
CID 15999485
[4-(1,3-benzoxazol-2-yl)phenyl]-piperidin-1-ylmethanone
CID 50849559

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide (CID 60553120) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)c1cccnc1N1CCCCC1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
The InChIKey is PUGPRCVXRBKBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O2/c29-23(19-7-6-14-25-22(19)28-15-4-1-5-16-28)26-18-12-10-17(11-13-18)24-27-20-8-2-3-9-21(20)30-24/h2-3,6-14H,1,4-5,15-16H2,(H,26,29).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-piperidin-1-ylpyridine-3-carboxamide is sourced from PubChem (CID 60553120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).