2,2-dipyridin-3-ylhexanediamide

C16H18N4O2 — CID 174727979

IUPAC2,2-dipyridin-3-ylhexanediamide
SMILESNC(=O)CCCC(C(N)=O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C16H18N4O2/c17-14(21)6-1-7-16(15(18)22,12-4-2-8-19-10-12)13-5-3-9-20-11-13/h2-5,8-11H,1,6-7H2,(H2,17,21)(H2,18,22)
InChIKeySMLVOBMXQQYIKV-UHFFFAOYSA-N
MW298.35 g/mol
LogP0.90
Rot. Bonds7

About 2,2-dipyridin-3-ylhexanediamide

2,2-dipyridin-3-ylhexanediamide (PubChem CID 174727979) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2,2-dipyridin-3-ylhexanediamide.

Molecular Properties

Compound Name2,2-dipyridin-3-ylhexanediamide
PubChem CID174727979
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name2,2-dipyridin-3-ylhexanediamide
SMILESNC(=O)CCCC(C(N)=O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C16H18N4O2/c17-14(21)6-1-7-16(15(18)22,12-4-2-8-19-10-12)13-5-3-9-20-11-13/h2-5,8-11H,1,6-7H2,(H2,17,21)(H2,18,22)
InChIKeySMLVOBMXQQYIKV-UHFFFAOYSA-N
XLogP0.90
TPSA111.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-oxo-2-phenyl-2-pyridin-3-ylbutanamide
CID 174457526
2,2-bis(4-anilinophenyl)hexanediamide
CID 174828822
tripyridin-3-ylmethanol
CID 177395677
2-methyl-2,3-dipyridin-3-ylpropanamide
CID 126521442
3-(methylamino)-3-pyridin-3-ylbutanamide
CID 65236236
(2-methyl-2-pyridin-3-ylpropyl)urea
CID 115168843
17-ethyl-17-pyridin-3-yltritriacontane-16,18-dione
CID 173099527
(E)-7-phenyl-7-pyridin-3-ylhept-6-enamide
CID 13417329
4-amino-N-(2-methyl-2-pyridin-3-ylpropyl)butanamide
CID 115155544
2-(benzylamino)-2-pyridin-3-ylpropanamide
CID 54891500
diethyl 2-methyl-2-pyridin-3-ylpropanedioate
CID 57301531
(2S)-2-amino-2-pyridin-3-ylpropanoic acid;hydrochloride
CID 71485674

Frequently Asked Questions

What is the IUPAC name of 2,2-dipyridin-3-ylhexanediamide?
The IUPAC name of 2,2-dipyridin-3-ylhexanediamide (CID 174727979) is 2,2-dipyridin-3-ylhexanediamide.
What is the SMILES notation for 2,2-dipyridin-3-ylhexanediamide?
The canonical SMILES for 2,2-dipyridin-3-ylhexanediamide is NC(=O)CCCC(C(N)=O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 2,2-dipyridin-3-ylhexanediamide?
The InChIKey is SMLVOBMXQQYIKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c17-14(21)6-1-7-16(15(18)22,12-4-2-8-19-10-12)13-5-3-9-20-11-13/h2-5,8-11H,1,6-7H2,(H2,17,21)(H2,18,22).
What are the key properties of 2,2-dipyridin-3-ylhexanediamide?
2,2-dipyridin-3-ylhexanediamide has a molecular weight of 298.35 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dipyridin-3-ylhexanediamide is sourced from PubChem (CID 174727979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).