N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine

C16H19N5 — CID 135390651

IUPACN-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine
SMILESCc1[nH]ncc1-c1cc(NC(C)(C)C)c2ccncc2n1
InChIInChI=1S/C16H19N5/c1-10-12(8-18-21-10)13-7-14(20-16(2,3)4)11-5-6-17-9-15(11)19-13/h5-9H,1-4H3,(H,18,21)(H,19,20)
InChIKeyCHYCCNFSSCTALZ-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.54
Rot. Bonds2

About N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine

N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine (PubChem CID 135390651) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine
PubChem CID135390651
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC NameN-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine
SMILESCc1[nH]ncc1-c1cc(NC(C)(C)C)c2ccncc2n1
InChIInChI=1S/C16H19N5/c1-10-12(8-18-21-10)13-7-14(20-16(2,3)4)11-5-6-17-9-15(11)19-13/h5-9H,1-4H3,(H,18,21)(H,19,20)
InChIKeyCHYCCNFSSCTALZ-UHFFFAOYSA-N
XLogP3.54
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine?
The IUPAC name of N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine (CID 135390651) is N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine.
What is the SMILES notation for N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine?
The canonical SMILES for N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine is Cc1[nH]ncc1-c1cc(NC(C)(C)C)c2ccncc2n1.
What is the InChIKey of N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine?
The InChIKey is CHYCCNFSSCTALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-10-12(8-18-21-10)13-7-14(20-16(2,3)4)11-5-6-17-9-15(11)19-13/h5-9H,1-4H3,(H,18,21)(H,19,20).
What are the key properties of N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine?
N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine has a molecular weight of 281.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(5-methyl-1H-pyrazol-4-yl)-1,7-naphthyridin-4-amine is sourced from PubChem (CID 135390651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).