N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine

C17H17ClN4 — CID 137350568

IUPACN-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C17H17ClN4/c1-17(2,3)22-15-8-14(11-4-6-19-9-13(11)18)21-16-10-20-7-5-12(15)16/h4-10H,1-3H3,(H,21,22)
InChIKeyPUOZBPWNFJJPCZ-UHFFFAOYSA-N
MW312.80 g/mol
LogP4.56
Rot. Bonds2

About N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine

N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine (PubChem CID 137350568) has the molecular formula C17H17ClN4 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine
PubChem CID137350568
Molecular FormulaC17H17ClN4
Molecular Weight312.80 g/mol
Exact Mass312.11
IUPAC NameN-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine
SMILESCC(C)(C)Nc1cc(-c2ccncc2Cl)nc2cnccc12
InChIInChI=1S/C17H17ClN4/c1-17(2,3)22-15-8-14(11-4-6-19-9-13(11)18)21-16-10-20-7-5-12(15)16/h4-10H,1-3H3,(H,21,22)
InChIKeyPUOZBPWNFJJPCZ-UHFFFAOYSA-N
XLogP4.56
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine?
The IUPAC name of N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine (CID 137350568) is N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine?
The canonical SMILES for N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine is CC(C)(C)Nc1cc(-c2ccncc2Cl)nc2cnccc12.
What is the InChIKey of N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine?
The InChIKey is PUOZBPWNFJJPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4/c1-17(2,3)22-15-8-14(11-4-6-19-9-13(11)18)21-16-10-20-7-5-12(15)16/h4-10H,1-3H3,(H,21,22).
What are the key properties of N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine?
N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine has a molecular weight of 312.80 g/mol, XLogP of 4.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(3-chloro-4-pyridinyl)-1,7-naphthyridin-4-amine is sourced from PubChem (CID 137350568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).