2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine

C18H21N5 — CID 71461847

IUPAC2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
SMILESCc1cnccc1-c1cc2cnccc2c(NCC(C)(C)N)n1
InChIInChI=1S/C18H21N5/c1-12-9-20-6-4-14(12)16-8-13-10-21-7-5-15(13)17(23-16)22-11-18(2,3)19/h4-10H,11,19H2,1-3H3,(H,22,23)
InChIKeyNCMIECXUNJAKKP-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.15
Rot. Bonds4

About 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine

2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine (PubChem CID 71461847) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine.

Molecular Properties

Compound Name2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
PubChem CID71461847
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine
SMILESCc1cnccc1-c1cc2cnccc2c(NCC(C)(C)N)n1
InChIInChI=1S/C18H21N5/c1-12-9-20-6-4-14(12)16-8-13-10-21-7-5-15(13)17(23-16)22-11-18(2,3)19/h4-10H,11,19H2,1-3H3,(H,22,23)
InChIKeyNCMIECXUNJAKKP-UHFFFAOYSA-N
XLogP3.15
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine?
The IUPAC name of 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine (CID 71461847) is 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine.
What is the SMILES notation for 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine?
The canonical SMILES for 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine is Cc1cnccc1-c1cc2cnccc2c(NCC(C)(C)N)n1.
What is the InChIKey of 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine?
The InChIKey is NCMIECXUNJAKKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-12-9-20-6-4-14(12)16-8-13-10-21-7-5-15(13)17(23-16)22-11-18(2,3)19/h4-10H,11,19H2,1-3H3,(H,22,23).
What are the key properties of 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine?
2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine has a molecular weight of 307.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-N-[3-(3-methyl-4-pyridinyl)-2,6-naphthyridin-1-yl]propane-1,2-diamine is sourced from PubChem (CID 71461847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).