4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine

C20H18N6 — CID 69183762

IUPAC4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
SMILESc1cncc(CNc2cc3c(NCc4cccnc4)ccnc3cn2)c1
InChIInChI=1S/C20H18N6/c1-3-15(10-21-6-1)12-24-18-5-8-23-19-14-26-20(9-17(18)19)25-13-16-4-2-7-22-11-16/h1-11,14H,12-13H2,(H,23,24)(H,25,26)
InChIKeyKCNXHRCLRBPCLV-UHFFFAOYSA-N
MW342.41 g/mol
LogP3.64
Rot. Bonds6

About 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine

4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine (PubChem CID 69183762) has the molecular formula C20H18N6 and a molecular weight of 342.41 g/mol. Its IUPAC name is 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine.

Molecular Properties

Compound Name4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
PubChem CID69183762
Molecular FormulaC20H18N6
Molecular Weight342.41 g/mol
Exact Mass342.16
IUPAC Name4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine
SMILESc1cncc(CNc2cc3c(NCc4cccnc4)ccnc3cn2)c1
InChIInChI=1S/C20H18N6/c1-3-15(10-21-6-1)12-24-18-5-8-23-19-14-26-20(9-17(18)19)25-13-16-4-2-7-22-11-16/h1-11,14H,12-13H2,(H,23,24)(H,25,26)
InChIKeyKCNXHRCLRBPCLV-UHFFFAOYSA-N
XLogP3.64
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.41
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-methyl-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 40787521
2-(pyridin-3-ylmethylamino)pyridine-4-carbonitrile
CID 29036481
6-(iodomethyl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 118029133
2-(pyridin-3-ylmethylamino)pyridine-4-carboxylic acid
CID 29037275
N-(pyridin-3-ylmethyl)quinolin-6-amine
CID 53392291
5-(pyridin-3-ylmethylamino)naphthalen-1-ol
CID 43742968
N-(pyridin-3-ylmethyl)isoquinolin-5-amine
CID 43681304
N-(2-pyridin-3-ylethyl)quinolin-4-amine
CID 61339909
4-N-[(2-fluorophenyl)methyl]-6-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 112859559
4-[[3-cyano-6-(pyridin-3-ylmethylamino)-1,7-naphthyridin-4-yl]amino]benzoic acid
CID 141161219
2-methyl-N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 75356077
4-N-benzyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112889409

Frequently Asked Questions

What is the IUPAC name of 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine?
The IUPAC name of 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine (CID 69183762) is 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine.
What is the SMILES notation for 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine?
The canonical SMILES for 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine is c1cncc(CNc2cc3c(NCc4cccnc4)ccnc3cn2)c1.
What is the InChIKey of 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine?
The InChIKey is KCNXHRCLRBPCLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6/c1-3-15(10-21-6-1)12-24-18-5-8-23-19-14-26-20(9-17(18)19)25-13-16-4-2-7-22-11-16/h1-11,14H,12-13H2,(H,23,24)(H,25,26).
What are the key properties of 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine?
4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine has a molecular weight of 342.41 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,6-N-bis(pyridin-3-ylmethyl)-1,7-naphthyridine-4,6-diamine is sourced from PubChem (CID 69183762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).