3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide

C16H18N4O2 — CID 173090462

IUPAC3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESNC(=O)c1cccc(CCC(=O)NCc2ccc(N)nc2)c1
InChIInChI=1S/C16H18N4O2/c17-14-6-4-12(9-19-14)10-20-15(21)7-5-11-2-1-3-13(8-11)16(18)22/h1-4,6,8-9H,5,7,10H2,(H2,17,19)(H2,18,22)(H,20,21)
InChIKeyVUMLGLBMYAVOAN-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.01
Rot. Bonds6

About 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide

3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide (PubChem CID 173090462) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide.

Molecular Properties

Compound Name3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
PubChem CID173090462
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide
SMILESNC(=O)c1cccc(CCC(=O)NCc2ccc(N)nc2)c1
InChIInChI=1S/C16H18N4O2/c17-14-6-4-12(9-19-14)10-20-15(21)7-5-11-2-1-3-13(8-11)16(18)22/h1-4,6,8-9H,5,7,10H2,(H2,17,19)(H2,18,22)(H,20,21)
InChIKeyVUMLGLBMYAVOAN-UHFFFAOYSA-N
XLogP1.01
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-aminopropanoylamino)methyl]benzamide
CID 61274334
3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
2-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]-5-hydroxybenzamide
CID 173090852
3-[3-(hydroxyamino)-3-oxopropyl]benzamide
CID 141465309
1-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]cyclohexane-1-carboxamide
CID 173090884
3-[[(2-chloroacetyl)amino]methyl]benzamide
CID 61251496
3-[(propanoylamino)methyl]benzamide
CID 32636451
3-[(carbamoylamino)methyl]benzamide
CID 166184789
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
3-[[4-(1,3-benzothiazol-2-yl)butanoylamino]methyl]benzamide
CID 32636652
6-amino-3-[[3-(3-chlorophenyl)propanoylamino]methyl]pyridine-2-carboxamide
CID 173090749
3-[4-[(3-carbamoylphenyl)methylamino]phenyl]propanoic acid
CID 24825506

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The IUPAC name of 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide (CID 173090462) is 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide.
What is the SMILES notation for 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The canonical SMILES for 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide is NC(=O)c1cccc(CCC(=O)NCc2ccc(N)nc2)c1.
What is the InChIKey of 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
The InChIKey is VUMLGLBMYAVOAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-14-6-4-12(9-19-14)10-20-15(21)7-5-11-2-1-3-13(8-11)16(18)22/h1-4,6,8-9H,5,7,10H2,(H2,17,19)(H2,18,22)(H,20,21).
What are the key properties of 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide?
3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide has a molecular weight of 298.35 g/mol, XLogP of 1.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(6-amino-3-pyridinyl)methylamino]-3-oxopropyl]benzamide is sourced from PubChem (CID 173090462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).