(8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine

C19H22N6 — CID 70987819

IUPAC(8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine
SMILESC/C=C(\N)c1ccc(Nc2cc3c(c(N)n2)/C(=C\C)N(C)C=C3)nc1
InChIInChI=1S/C19H22N6/c1-4-14(20)13-6-7-16(22-11-13)23-17-10-12-8-9-25(3)15(5-2)18(12)19(21)24-17/h4-11H,20H2,1-3H3,(H3,21,22,23,24)/b14-4-,15-5+
InChIKeyFTQDECVPAHZSBV-YHKLRMRPSA-N
MW334.43 g/mol
LogP3.40
Rot. Bonds3

About (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine

(8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine (PubChem CID 70987819) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine.

Molecular Properties

Compound Name(8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine
PubChem CID70987819
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name(8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine
SMILESC/C=C(\N)c1ccc(Nc2cc3c(c(N)n2)/C(=C\C)N(C)C=C3)nc1
InChIInChI=1S/C19H22N6/c1-4-14(20)13-6-7-16(22-11-13)23-17-10-12-8-9-25(3)15(5-2)18(12)19(21)24-17/h4-11H,20H2,1-3H3,(H3,21,22,23,24)/b14-4-,15-5+
InChIKeyFTQDECVPAHZSBV-YHKLRMRPSA-N
XLogP3.40
TPSA93.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine?
The IUPAC name of (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine (CID 70987819) is (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine.
What is the SMILES notation for (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine?
The canonical SMILES for (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine is C/C=C(\N)c1ccc(Nc2cc3c(c(N)n2)/C(=C\C)N(C)C=C3)nc1.
What is the InChIKey of (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine?
The InChIKey is FTQDECVPAHZSBV-YHKLRMRPSA-N. The full InChI is InChI=1S/C19H22N6/c1-4-14(20)13-6-7-16(22-11-13)23-17-10-12-8-9-25(3)15(5-2)18(12)19(21)24-17/h4-11H,20H2,1-3H3,(H3,21,22,23,24)/b14-4-,15-5+.
What are the key properties of (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine?
(8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine has a molecular weight of 334.43 g/mol, XLogP of 3.40, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-3-N-[5-[(Z)-1-aminoprop-1-enyl]-2-pyridinyl]-8-ethylidene-7-methyl-2,7-naphthyridine-1,3-diamine is sourced from PubChem (CID 70987819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).