6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde

C25H29N7O4 — CID 142284741

IUPAC6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde
SMILESCNc1cc(NC2COC2)c(C#N)cn1.O=Cc1nc2c(cc1CN1CCCC1=O)CCCN2C=O
InChIInChI=1S/C15H17N3O3.C10H12N4O/c19-9-13-12(8-17-5-2-4-14(17)21)7-11-3-1-6-18(10-20)15(11)16-13;1-12-10-2-9(7(3-11)4-13-10)14-8-5-15-6-8/h7,9-10H,1-6,8H2;2,4,8H,5-6H2,1H3,(H2,12,13,14)
InChIKeyQDTLDFOREWLCNZ-UHFFFAOYSA-N
MW491.55 g/mol
LogP1.73
Rot. Bonds7

About 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde

6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde (PubChem CID 142284741) has the molecular formula C25H29N7O4 and a molecular weight of 491.55 g/mol. Its IUPAC name is 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde.

Molecular Properties

Compound Name6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde
PubChem CID142284741
Molecular FormulaC25H29N7O4
Molecular Weight491.55 g/mol
Exact Mass491.23
IUPAC Name6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde
SMILESCNc1cc(NC2COC2)c(C#N)cn1.O=Cc1nc2c(cc1CN1CCCC1=O)CCCN2C=O
InChIInChI=1S/C15H17N3O3.C10H12N4O/c19-9-13-12(8-17-5-2-4-14(17)21)7-11-3-1-6-18(10-20)15(11)16-13;1-12-10-2-9(7(3-11)4-13-10)14-8-5-15-6-8/h7,9-10H,1-6,8H2;2,4,8H,5-6H2,1H3,(H2,12,13,14)
InChIKeyQDTLDFOREWLCNZ-UHFFFAOYSA-N
XLogP1.73
TPSA140.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.55
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?
The IUPAC name of 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde (CID 142284741) is 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde.
What is the SMILES notation for 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?
The canonical SMILES for 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde is CNc1cc(NC2COC2)c(C#N)cn1.O=Cc1nc2c(cc1CN1CCCC1=O)CCCN2C=O.
What is the InChIKey of 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?
The InChIKey is QDTLDFOREWLCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3.C10H12N4O/c19-9-13-12(8-17-5-2-4-14(17)21)7-11-3-1-6-18(10-20)15(11)16-13;1-12-10-2-9(7(3-11)4-13-10)14-8-5-15-6-8/h7,9-10H,1-6,8H2;2,4,8H,5-6H2,1H3,(H2,12,13,14).
What are the key properties of 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde?
6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde has a molecular weight of 491.55 g/mol, XLogP of 1.73, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(methylamino)-4-(oxetan-3-ylamino)pyridine-3-carbonitrile;6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1,7-dicarbaldehyde is sourced from PubChem (CID 142284741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).