3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

C16H20N4O — CID 61116038

IUPAC3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C16H20N4O/c1-11(2)20(10-12-4-3-5-19-9-12)16(21)13-6-14(17)8-15(18)7-13/h3-9,11H,10,17-18H2,1-2H3
InChIKeyUKNKETHHTIMARP-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.30
Rot. Bonds4

About 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide

3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (PubChem CID 61116038) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.

Molecular Properties

Compound Name3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
PubChem CID61116038
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
SMILESCC(C)N(Cc1cccnc1)C(=O)c1cc(N)cc(N)c1
InChIInChI=1S/C16H20N4O/c1-11(2)20(10-12-4-3-5-19-9-12)16(21)13-6-14(17)8-15(18)7-13/h3-9,11H,10,17-18H2,1-2H3
InChIKeyUKNKETHHTIMARP-UHFFFAOYSA-N
XLogP2.30
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-chloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 61114903
3-(chloromethyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60948704
5-amino-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 81316551
3-iodo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55820021
3-phenoxy-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 60557001
N-propan-2-yl-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 61215927
2-amino-3-methyl-N-propan-2-yl-N-(pyridin-3-ylmethyl)butanamide
CID 54873763
N-propan-2-yl-3-(propan-2-ylcarbamoylamino)-N-(pyridin-3-ylmethyl)benzamide
CID 51123762
N-benzyl-3-ethoxy-N-propan-2-yl-4-(pyridin-3-ylmethoxy)benzamide
CID 52663723
2,4-dibromo-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 103885272
3-(ethylsulfamoyl)-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide
CID 55818997
2,5-dichloro-N-propan-2-yl-N-(pyridin-3-ylmethyl)pyridine-4-carboxamide
CID 114917912

Frequently Asked Questions

What is the IUPAC name of 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The IUPAC name of 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide (CID 61116038) is 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide.
What is the SMILES notation for 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The canonical SMILES for 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is CC(C)N(Cc1cccnc1)C(=O)c1cc(N)cc(N)c1.
What is the InChIKey of 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
The InChIKey is UKNKETHHTIMARP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11(2)20(10-12-4-3-5-19-9-12)16(21)13-6-14(17)8-15(18)7-13/h3-9,11H,10,17-18H2,1-2H3.
What are the key properties of 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide?
3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide has a molecular weight of 284.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diamino-N-propan-2-yl-N-(pyridin-3-ylmethyl)benzamide is sourced from PubChem (CID 61116038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).