N,N,N',N'-tetrapyridin-4-ylmethanediamine

C21H18N6 — CID 102450361

IUPACN,N,N',N'-tetrapyridin-4-ylmethanediamine
SMILESc1cc(N(CN(c2ccncc2)c2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C21H18N6/c1-9-22-10-2-18(1)26(19-3-11-23-12-4-19)17-27(20-5-13-24-14-6-20)21-7-15-25-16-8-21/h1-16H,17H2
InChIKeyRRWSGOMJPMNLEP-UHFFFAOYSA-N
MW354.42 g/mol
LogP4.20
Rot. Bonds6

About N,N,N',N'-tetrapyridin-4-ylmethanediamine

N,N,N',N'-tetrapyridin-4-ylmethanediamine (PubChem CID 102450361) has the molecular formula C21H18N6 and a molecular weight of 354.42 g/mol. Its IUPAC name is N,N,N',N'-tetrapyridin-4-ylmethanediamine.

Molecular Properties

Compound NameN,N,N',N'-tetrapyridin-4-ylmethanediamine
PubChem CID102450361
Molecular FormulaC21H18N6
Molecular Weight354.42 g/mol
Exact Mass354.16
IUPAC NameN,N,N',N'-tetrapyridin-4-ylmethanediamine
SMILESc1cc(N(CN(c2ccncc2)c2ccncc2)c2ccncc2)ccn1
InChIInChI=1S/C21H18N6/c1-9-22-10-2-18(1)26(19-3-11-23-12-4-19)17-27(20-5-13-24-14-6-20)21-7-15-25-16-8-21/h1-16H,17H2
InChIKeyRRWSGOMJPMNLEP-UHFFFAOYSA-N
XLogP4.20
TPSA58.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethylpyridin-4-amine
CID 14284
tris(N,N-dimethylpyridin-4-amine);trihydrobromide
CID 68567794
N,N-dimethylpyridin-4-amine;terbium
CID 21052224
zinc;N,N-dimethylpyridin-4-amine;dichloride
CID 175706220
N'-methyl-N'-pyridin-4-ylmethanediamine
CID 115225635
N-(4-fluorophenyl)-N-[3-(4-fluorophenyl)propyl]pyridin-4-amine
CID 57159857
N-(4-fluorophenyl)-N-(3-methylbutyl)pyridin-4-amine
CID 57117237
N-(3,4-difluorophenyl)-N-ethylpyridin-4-amine
CID 18005247
N'-(4-fluorophenyl)-N'-pyridin-4-ylpropane-1,3-diamine
CID 43136242
lithium;N,N-dimethylpyridin-4-amine;hydroxide
CID 174914031
4-[(2R,3S,4R,5S,10S,11R,12S,13R)-4,11,12-tripyridin-4-yl-3-pentacyclo[12.2.2.26,9.02,5.010,13]icosa-1(16),6(20),7,9(19),14,17-hexaenyl]pyridine
CID 101374305
N,N-dipropylpyridin-4-amine;hydrochloride
CID 141442378

Frequently Asked Questions

What is the IUPAC name of N,N,N',N'-tetrapyridin-4-ylmethanediamine?
The IUPAC name of N,N,N',N'-tetrapyridin-4-ylmethanediamine (CID 102450361) is N,N,N',N'-tetrapyridin-4-ylmethanediamine.
What is the SMILES notation for N,N,N',N'-tetrapyridin-4-ylmethanediamine?
The canonical SMILES for N,N,N',N'-tetrapyridin-4-ylmethanediamine is c1cc(N(CN(c2ccncc2)c2ccncc2)c2ccncc2)ccn1.
What is the InChIKey of N,N,N',N'-tetrapyridin-4-ylmethanediamine?
The InChIKey is RRWSGOMJPMNLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6/c1-9-22-10-2-18(1)26(19-3-11-23-12-4-19)17-27(20-5-13-24-14-6-20)21-7-15-25-16-8-21/h1-16H,17H2.
What are the key properties of N,N,N',N'-tetrapyridin-4-ylmethanediamine?
N,N,N',N'-tetrapyridin-4-ylmethanediamine has a molecular weight of 354.42 g/mol, XLogP of 4.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,N',N'-tetrapyridin-4-ylmethanediamine is sourced from PubChem (CID 102450361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).