6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine

C21H25N9 — CID 168679678

IUPAC6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCC(N)(CC)c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1
InChIInChI=1S/C21H25N9/c1-4-21(23,5-2)14-6-7-24-19(10-14)28-18-9-13-8-16(17-12-26-29-30(17)3)27-20(22)15(13)11-25-18/h6-12H,4-5,23H2,1-3H3,(H2,22,27)(H,24,25,28)
InChIKeyMVYWULXPOKYILU-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.12
Rot. Bonds6

About 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine

6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine (PubChem CID 168679678) has the molecular formula C21H25N9 and a molecular weight of 403.49 g/mol. Its IUPAC name is 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Name6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine
PubChem CID168679678
Molecular FormulaC21H25N9
Molecular Weight403.49 g/mol
Exact Mass403.22
IUPAC Name6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine
SMILESCCC(N)(CC)c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1
InChIInChI=1S/C21H25N9/c1-4-21(23,5-2)14-6-7-24-19(10-14)28-18-9-13-8-16(17-12-26-29-30(17)3)27-20(22)15(13)11-25-18/h6-12H,4-5,23H2,1-3H3,(H2,22,27)(H,24,25,28)
InChIKeyMVYWULXPOKYILU-UHFFFAOYSA-N
XLogP3.12
TPSA133.45 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine (CID 168679678) is 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine is CCC(N)(CC)c1ccnc(Nc2cc3cc(-c4cnnn4C)nc(N)c3cn2)c1.
What is the InChIKey of 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is MVYWULXPOKYILU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N9/c1-4-21(23,5-2)14-6-7-24-19(10-14)28-18-9-13-8-16(17-12-26-29-30(17)3)27-20(22)15(13)11-25-18/h6-12H,4-5,23H2,1-3H3,(H2,22,27)(H,24,25,28).
What are the key properties of 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine?
6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 403.49 g/mol, XLogP of 3.12, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[4-(3-aminopentan-3-yl)-2-pyridinyl]-3-(3-methyltriazol-4-yl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 168679678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).