3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine

C20H19N7S — CID 118510266

IUPAC3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine
SMILESNc1nc2cc(Nc3ccncc3)cnc2cc1-c1nnc(C2CCCC2)s1
InChIInChI=1S/C20H19N7S/c21-18-15(20-27-26-19(28-20)12-3-1-2-4-12)10-16-17(25-18)9-14(11-23-16)24-13-5-7-22-8-6-13/h5-12H,1-4H2,(H2,21,25)(H,22,24)
InChIKeyVCGVJLMDEWLHLA-UHFFFAOYSA-N
MW389.49 g/mol
LogP4.53
Rot. Bonds4

About 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine

3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine (PubChem CID 118510266) has the molecular formula C20H19N7S and a molecular weight of 389.49 g/mol. Its IUPAC name is 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine.

Molecular Properties

Compound Name3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine
PubChem CID118510266
Molecular FormulaC20H19N7S
Molecular Weight389.49 g/mol
Exact Mass389.14
IUPAC Name3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine
SMILESNc1nc2cc(Nc3ccncc3)cnc2cc1-c1nnc(C2CCCC2)s1
InChIInChI=1S/C20H19N7S/c21-18-15(20-27-26-19(28-20)12-3-1-2-4-12)10-16-17(25-18)9-14(11-23-16)24-13-5-7-22-8-6-13/h5-12H,1-4H2,(H2,21,25)(H,22,24)
InChIKeyVCGVJLMDEWLHLA-UHFFFAOYSA-N
XLogP4.53
TPSA102.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.49
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine?
The IUPAC name of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine (CID 118510266) is 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine.
What is the SMILES notation for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine?
The canonical SMILES for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine is Nc1nc2cc(Nc3ccncc3)cnc2cc1-c1nnc(C2CCCC2)s1.
What is the InChIKey of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine?
The InChIKey is VCGVJLMDEWLHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7S/c21-18-15(20-27-26-19(28-20)12-3-1-2-4-12)10-16-17(25-18)9-14(11-23-16)24-13-5-7-22-8-6-13/h5-12H,1-4H2,(H2,21,25)(H,22,24).
What are the key properties of 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine?
3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine has a molecular weight of 389.49 g/mol, XLogP of 4.53, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclopentyl-1,3,4-thiadiazol-2-yl)-7-N-pyridin-4-yl-1,5-naphthyridine-2,7-diamine is sourced from PubChem (CID 118510266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).