(2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine

C23H32N6O2 — CID 178063334

IUPAC(2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine
SMILESCCc1cc2ncc(CN3CC/C(=C\C(N)=C\C=C(/N)C=O)C3)cc2[nH]c1=O.CNC
InChIInChI=1S/C21H25N5O2.C2H7N/c1-2-16-9-19-20(25-21(16)28)8-15(10-24-19)12-26-6-5-14(11-26)7-17(22)3-4-18(23)13-27;1-3-2/h3-4,7-10,13H,2,5-6,11-12,22-23H2,1H3,(H,25,28);3H,1-2H3/b14-7+,17-3-,18-4-;
InChIKeyIMFJGNHGPLGNKO-SKJSRJOUSA-N
MW424.55 g/mol
LogP1.34
Rot. Bonds6

About (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine

(2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine (PubChem CID 178063334) has the molecular formula C23H32N6O2 and a molecular weight of 424.55 g/mol. Its IUPAC name is (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine.

Molecular Properties

Compound Name(2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine
PubChem CID178063334
Molecular FormulaC23H32N6O2
Molecular Weight424.55 g/mol
Exact Mass424.26
IUPAC Name(2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine
SMILESCCc1cc2ncc(CN3CC/C(=C\C(N)=C\C=C(/N)C=O)C3)cc2[nH]c1=O.CNC
InChIInChI=1S/C21H25N5O2.C2H7N/c1-2-16-9-19-20(25-21(16)28)8-15(10-24-19)12-26-6-5-14(11-26)7-17(22)3-4-18(23)13-27;1-3-2/h3-4,7-10,13H,2,5-6,11-12,22-23H2,1H3,(H,25,28);3H,1-2H3/b14-7+,17-3-,18-4-;
InChIKeyIMFJGNHGPLGNKO-SKJSRJOUSA-N
XLogP1.34
TPSA130.13 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.55
LogP ≤ 51.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine with MolForge

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Related Compounds

(2Z,4E)-2,5-diamino-5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpenta-2,4-dienamide
CID 174200353
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
CID 177022352
3-ethyl-7-[[4-(2-methylpropanethioyl)piperazin-1-yl]methyl]-1H-1,5-naphthyridin-2-one
CID 177022419
5-[5-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-2-yl]-N-methylpyridine-2-carboxamide
CID 175824639
7-[[4-(cyclopropanecarbothioyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 177022356
2-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methyl-1,3-thiazole-5-carboxamide
CID 166021942
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N-methylpyridine-2-carboxamide
CID 155586901
6-[1-[[6-oxo-7-(2,2,2-trideuterioethyl)-5H-1,5-naphthyridin-3-yl]methyl]-3,6-dihydro-2H-pyridin-4-yl]pyridine-3-carboxamide
CID 178182098
3-amino-2-chloro-4-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-6-fluorobenzamide
CID 175493905
7-[[4-(4-amino-2-methoxyphenyl)piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 170043057
ethane;6-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N,1-dimethyl-2-oxopyridine-3-carboxamide
CID 166088880
5-[4-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]piperazin-1-yl]-N'-methylpyridine-2-carbohydrazide;dihydrochloride
CID 178131901

Frequently Asked Questions

What is the IUPAC name of (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine?
The IUPAC name of (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine (CID 178063334) is (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine.
What is the SMILES notation for (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine?
The canonical SMILES for (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine is CCc1cc2ncc(CN3CC/C(=C\C(N)=C\C=C(/N)C=O)C3)cc2[nH]c1=O.CNC.
What is the InChIKey of (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine?
The InChIKey is IMFJGNHGPLGNKO-SKJSRJOUSA-N. The full InChI is InChI=1S/C21H25N5O2.C2H7N/c1-2-16-9-19-20(25-21(16)28)8-15(10-24-19)12-26-6-5-14(11-26)7-17(22)3-4-18(23)13-27;1-3-2/h3-4,7-10,13H,2,5-6,11-12,22-23H2,1H3,(H,25,28);3H,1-2H3/b14-7+,17-3-,18-4-;.
What are the key properties of (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine?
(2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine has a molecular weight of 424.55 g/mol, XLogP of 1.34, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z,6E)-2,5-diamino-6-[1-[(7-ethyl-6-oxo-5H-1,5-naphthyridin-3-yl)methyl]pyrrolidin-3-ylidene]hexa-2,4-dienal;N-methylmethanamine is sourced from PubChem (CID 178063334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).