4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide

C23H23N5O2 — CID 174629042

IUPAC4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CN)NC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C23H23N5O2/c1-23(2,13-24)28-21(29)15-9-7-14(8-10-15)16-11-17(20(25)26-12-16)22-27-18-5-3-4-6-19(18)30-22/h3-12H,13,24H2,1-2H3,(H2,25,26)(H,28,29)
InChIKeySQSFAOLYZVMNSP-UHFFFAOYSA-N
MW401.47 g/mol
LogP3.61
Rot. Bonds5

About 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide

4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide (PubChem CID 174629042) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide.

Molecular Properties

Compound Name4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide
PubChem CID174629042
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide
SMILESCC(C)(CN)NC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cc1
InChIInChI=1S/C23H23N5O2/c1-23(2,13-24)28-21(29)15-9-7-14(8-10-15)16-11-17(20(25)26-12-16)22-27-18-5-3-4-6-19(18)30-22/h3-12H,13,24H2,1-2H3,(H2,25,26)(H,28,29)
InChIKeySQSFAOLYZVMNSP-UHFFFAOYSA-N
XLogP3.61
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide?
The IUPAC name of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide (CID 174629042) is 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide.
What is the SMILES notation for 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide?
The canonical SMILES for 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide is CC(C)(CN)NC(=O)c1ccc(-c2cnc(N)c(-c3nc4ccccc4o3)c2)cc1.
What is the InChIKey of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide?
The InChIKey is SQSFAOLYZVMNSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-23(2,13-24)28-21(29)15-9-7-14(8-10-15)16-11-17(20(25)26-12-16)22-27-18-5-3-4-6-19(18)30-22/h3-12H,13,24H2,1-2H3,(H2,25,26)(H,28,29).
What are the key properties of 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide?
4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide has a molecular weight of 401.47 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-5-(1,3-benzoxazol-2-yl)-3-pyridinyl]-N-(1-amino-2-methylpropan-2-yl)benzamide is sourced from PubChem (CID 174629042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).