4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine

C14H18N4 — CID 57323953

IUPAC4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine
SMILESNCC(c1ccncc1)C(N)Cc1ccccn1
InChIInChI=1S/C14H18N4/c15-10-13(11-4-7-17-8-5-11)14(16)9-12-3-1-2-6-18-12/h1-8,13-14H,9-10,15-16H2
InChIKeyBNQDOXCPDRAYFE-UHFFFAOYSA-N
MW242.33 g/mol
LogP1.09
Rot. Bonds5

About 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine

4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine (PubChem CID 57323953) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine.

Molecular Properties

Compound Name4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine
PubChem CID57323953
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine
SMILESNCC(c1ccncc1)C(N)Cc1ccccn1
InChIInChI=1S/C14H18N4/c15-10-13(11-4-7-17-8-5-11)14(16)9-12-3-1-2-6-18-12/h1-8,13-14H,9-10,15-16H2
InChIKeyBNQDOXCPDRAYFE-UHFFFAOYSA-N
XLogP1.09
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-phenyl-1-pyridin-2-ylpentan-2-amine
CID 104995303
3-cyclopropyl-1-pyridin-2-ylbutan-2-amine
CID 83155129
(2S)-1-pyridin-2-ylpropan-2-amine
CID 42037572
3-amino-1-phenyl-2-pyridin-4-ylpropan-1-ol
CID 80525677
(1R)-2-pyridin-2-yl-1-pyridin-3-ylethanamine
CID 93256959
2-(aminomethyl)-3-pyridin-2-ylpropanenitrile
CID 82502788
2-amino-3-pyridin-2-ylpropanal
CID 22556784
2-amino-3-pyridin-2-ylpropan-1-ol;hydrochloride
CID 75525879
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-ethoxy-1-pyridin-2-ylpentan-2-amine
CID 116716297
2-pyridin-4-yl-2-pyrimidin-2-ylethanamine
CID 116833880
(1S)-1-(2,3,4,5,6-pentadeuteriophenyl)-2-pyridin-2-ylethanamine
CID 162640474

Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine?
The IUPAC name of 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine (CID 57323953) is 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine.
What is the SMILES notation for 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine?
The canonical SMILES for 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine is NCC(c1ccncc1)C(N)Cc1ccccn1.
What is the InChIKey of 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine?
The InChIKey is BNQDOXCPDRAYFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c15-10-13(11-4-7-17-8-5-11)14(16)9-12-3-1-2-6-18-12/h1-8,13-14H,9-10,15-16H2.
What are the key properties of 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine?
4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-yl-2-pyridin-4-ylbutane-1,3-diamine is sourced from PubChem (CID 57323953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).