4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide

C21H25N3O2 — CID 118046239

IUPAC4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide
SMILESNc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C21H25N3O2/c22-20-19(11-18(13-23-20)15-7-9-26-10-8-15)16-3-5-17(6-4-16)21(25)24-12-14-1-2-14/h3-6,11,13-15H,1-2,7-10,12H2,(H2,22,23)(H,24,25)
InChIKeyLWQHGBSWAOJNBR-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.36
Rot. Bonds5

About 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide

4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide (PubChem CID 118046239) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide
PubChem CID118046239
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide
SMILESNc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1
InChIInChI=1S/C21H25N3O2/c22-20-19(11-18(13-23-20)15-7-9-26-10-8-15)16-3-5-17(6-4-16)21(25)24-12-14-1-2-14/h3-6,11,13-15H,1-2,7-10,12H2,(H2,22,23)(H,24,25)
InChIKeyLWQHGBSWAOJNBR-UHFFFAOYSA-N
XLogP3.36
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-(oxan-4-ylmethyl)benzamide
CID 63727258
N-[(Z,2E)-4-amino-2-(aminomethylidene)but-3-enyl]-4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 144840311
4-methyl-N-(oxan-4-ylmethyl)benzamide
CID 110736358
5-[4-(oxan-4-yl)phenyl]-3-pyridin-4-ylpyridin-2-amine
CID 155744978
4-chloro-N-(oxan-4-ylmethyl)benzamide
CID 110736386
N-[(1S)-2-amino-1-(3-chlorophenyl)ethyl]-4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorobenzamide
CID 134220716
3,4-dichloro-N-(oxan-4-ylmethyl)benzamide
CID 110736364
1-[4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-2-fluorophenyl]-3-pyrazin-2-ylpropan-1-one
CID 134216128
4-(3-cyano-2-pyridinyl)-N-(oxan-4-ylmethyl)benzamide
CID 119064776
[4-(oxan-4-ylmethylcarbamoyl)phenyl]carbamic acid
CID 90422434
4-[2-(2-amino-2-oxoethoxy)-5-methylphenyl]-N-[[(3R)-oxolan-3-yl]methyl]benzamide
CID 126445963
4-amino-N-(oxan-4-ylmethyl)-3-(trifluoromethyl)benzamide
CID 63707294

Frequently Asked Questions

What is the IUPAC name of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide (CID 118046239) is 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide is Nc1ncc(C2CCOCC2)cc1-c1ccc(C(=O)NCC2CC2)cc1.
What is the InChIKey of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide?
The InChIKey is LWQHGBSWAOJNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c22-20-19(11-18(13-23-20)15-7-9-26-10-8-15)16-3-5-17(6-4-16)21(25)24-12-14-1-2-14/h3-6,11,13-15H,1-2,7-10,12H2,(H2,22,23)(H,24,25).
What are the key properties of 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide?
4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide has a molecular weight of 351.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-amino-5-(oxan-4-yl)-3-pyridinyl]-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 118046239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).