cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine

C21H26N6O2 — CID 142447521

IUPACcyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
SMILESCNC=O.CNc1cc2cc(-c3cnccc3C)nc(N)c2cn1.O=CC1CC1
InChIInChI=1S/C15H15N5.C4H6O.C2H5NO/c1-9-3-4-18-7-11(9)13-5-10-6-14(17-2)19-8-12(10)15(16)20-13;5-3-4-1-2-4;1-3-2-4/h3-8H,1-2H3,(H2,16,20)(H,17,19);3-4H,1-2H2;2H,1H3,(H,3,4)
InChIKeyVIQOVJLAIXQPDN-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.58
Rot. Bonds4

About cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine

cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine (PubChem CID 142447521) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine.

Molecular Properties

Compound Namecyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
PubChem CID142447521
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Namecyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine
SMILESCNC=O.CNc1cc2cc(-c3cnccc3C)nc(N)c2cn1.O=CC1CC1
InChIInChI=1S/C15H15N5.C4H6O.C2H5NO/c1-9-3-4-18-7-11(9)13-5-10-6-14(17-2)19-8-12(10)15(16)20-13;5-3-4-1-2-4;1-3-2-4/h3-8H,1-2H3,(H2,16,20)(H,17,19);3-4H,1-2H2;2H,1H3,(H,3,4)
InChIKeyVIQOVJLAIXQPDN-UHFFFAOYSA-N
XLogP2.58
TPSA122.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447667
cis-(1R,2R)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-formylcyclopropane-1-carboxamide
CID 139469052
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]formamide;N-(3-bicyclo[3.1.0]hexanyl)methanesulfonamide
CID 142447748
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide
CID 135344663
[(3R)-2-oxopyrrolidin-3-yl] N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamate
CID 135344703
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
CID 135345211
[(1R,2R)-2-[[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]carbamoyl]cyclopropyl]methyl acetate
CID 140921107
1-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-3-[(2S)-2-hydroxypropyl]urea
CID 135349081
(E)-N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-4-(4-cyanopiperidin-1-yl)-4-oxobut-2-enamide
CID 155477816
N-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(oxan-4-yl)cyclopropane-1-carboxamide
CID 135345062
(E)-N'-[8-amino-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-N-(cyanomethyl)but-2-enediamide
CID 155478679
N-[8-amino-6-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-3-yl]formamide;cyclopropane
CID 142447705

Frequently Asked Questions

What is the IUPAC name of cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
The IUPAC name of cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine (CID 142447521) is cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine.
What is the SMILES notation for cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
The canonical SMILES for cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine is CNC=O.CNc1cc2cc(-c3cnccc3C)nc(N)c2cn1.O=CC1CC1.
What is the InChIKey of cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
The InChIKey is VIQOVJLAIXQPDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5.C4H6O.C2H5NO/c1-9-3-4-18-7-11(9)13-5-10-6-14(17-2)19-8-12(10)15(16)20-13;5-3-4-1-2-4;1-3-2-4/h3-8H,1-2H3,(H2,16,20)(H,17,19);3-4H,1-2H2;2H,1H3,(H,3,4).
What are the key properties of cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine?
cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine has a molecular weight of 394.48 g/mol, XLogP of 2.58, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropanecarbaldehyde;N-methylformamide;6-N-methyl-3-(4-methyl-3-pyridinyl)-2,7-naphthyridine-1,6-diamine is sourced from PubChem (CID 142447521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).