4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide

C15H16N4O2 — CID 67536779

IUPAC4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
SMILESNC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H16N4O2/c16-13(9-14(17)20)10-1-3-11(4-2-10)15(21)19-12-5-7-18-8-6-12/h1-8,13H,9,16H2,(H2,17,20)(H,18,19,21)
InChIKeyIQKGSKNDJBRNRE-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.21
Rot. Bonds5

About 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide

4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide (PubChem CID 67536779) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
PubChem CID67536779
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide
SMILESNC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H16N4O2/c16-13(9-14(17)20)10-1-3-11(4-2-10)15(21)19-12-5-7-18-8-6-12/h1-8,13H,9,16H2,(H2,17,20)(H,18,19,21)
InChIKeyIQKGSKNDJBRNRE-UHFFFAOYSA-N
XLogP1.21
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-amino-2-[(2-pyridin-4-ylacetyl)amino]ethyl]-N-pyridin-4-ylbenzamide
CID 67536954
4-[1-amino-3-(cyclohexylamino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67538066
4-[1-amino-3-[(4-methylphenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536660
4-[(1S)-1-amino-3-[(4-fluorophenyl)methylamino]-3-oxopropyl]-N-pyridin-4-ylbenzamide;dihydrochloride
CID 67536089
4-[1-amino-3-[benzyl(trifluoromethyl)amino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67536790
4-[amino(cyclopropyl)methyl]-N-pyridin-4-ylbenzamide
CID 11149812
4-(1,4-diamino-1-oxobutan-2-yl)-N-pyridin-4-ylbenzamide
CID 174561502
4-(1-amino-2-anilino-2-oxoethyl)-N-pyridin-4-ylbenzamide
CID 15982114
4-[1-amino-2-[(4-phenylphenyl)carbamoylamino]ethyl]-N-pyridin-4-ylbenzamide
CID 15982238
4-[1-amino-3-[benzyl(trifluoromethoxy)amino]-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 87436894
4-[1-amino-3-(N-ethyl-3,5-dimethoxyanilino)-3-oxopropyl]-N-pyridin-4-ylbenzamide
CID 67537979
4-(aminomethyl)-N-pyridin-4-ylbenzamide
CID 16771252

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide?
The IUPAC name of 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide (CID 67536779) is 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide?
The canonical SMILES for 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide is NC(=O)CC(N)c1ccc(C(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide?
The InChIKey is IQKGSKNDJBRNRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-13(9-14(17)20)10-1-3-11(4-2-10)15(21)19-12-5-7-18-8-6-12/h1-8,13H,9,16H2,(H2,17,20)(H,18,19,21).
What are the key properties of 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide?
4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide has a molecular weight of 284.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-diamino-3-oxopropyl)-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 67536779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).