4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide

C20H21N7OS — CID 170090401

IUPAC4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CN(S)C1)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C20H21N7OS/c28-20(24-14-10-27(29)11-14)15-9-22-19(7-17(15)23-13-2-3-13)26-18-4-1-12-8-21-6-5-16(12)25-18/h1,4-9,13-14,29H,2-3,10-11H2,(H,24,28)(H2,22,23,25,26)
InChIKeyGPZVOSNSZOLHQX-UHFFFAOYSA-N
MW407.50 g/mol
LogP2.60
Rot. Bonds6

About 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide

4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide (PubChem CID 170090401) has the molecular formula C20H21N7OS and a molecular weight of 407.50 g/mol. Its IUPAC name is 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide
PubChem CID170090401
Molecular FormulaC20H21N7OS
Molecular Weight407.50 g/mol
Exact Mass407.15
IUPAC Name4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide
SMILESO=C(NC1CN(S)C1)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1
InChIInChI=1S/C20H21N7OS/c28-20(24-14-10-27(29)11-14)15-9-22-19(7-17(15)23-13-2-3-13)26-18-4-1-12-8-21-6-5-16(12)25-18/h1,4-9,13-14,29H,2-3,10-11H2,(H,24,28)(H2,22,23,25,26)
InChIKeyGPZVOSNSZOLHQX-UHFFFAOYSA-N
XLogP2.60
TPSA95.07 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.50
LogP ≤ 52.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide;ethane
CID 142615931
4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide
CID 155582616
methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate
CID 138728703
4-(cyclopropylamino)-N-[3-[2-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]ethylcarbamoyl]cyclobutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
CID 138695585
4-(cyclopropylamino)-N-[3-[2-[2-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethoxy]ethoxy]-2-fluoro-3-methylbutyl]-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carboxamide
CID 138727107
6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 118416740
4-(cyclopentylamino)-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
CID 171406883
4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
CID 67371252
6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide
CID 118410835
4-[[1-(6-cyanopyridazin-3-yl)piperidin-4-yl]amino]-6-(pyrimidin-4-ylamino)pyridine-3-carboxamide
CID 46208478
4-(cyclobutylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(pyrazolo[1,5-a]pyrimidin-5-ylamino)pyridine-3-carboxamide
CID 90155131
4-(cyclopropylamino)-N-(2-fluoro-3-hydroxy-3-methylbutyl)-6-(quinoxalin-6-ylamino)pyridine-3-carboxamide
CID 123818525

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide (CID 170090401) is 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide is O=C(NC1CN(S)C1)c1cnc(Nc2ccc3cnccc3n2)cc1NC1CC1.
What is the InChIKey of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide?
The InChIKey is GPZVOSNSZOLHQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7OS/c28-20(24-14-10-27(29)11-14)15-9-22-19(7-17(15)23-13-2-3-13)26-18-4-1-12-8-21-6-5-16(12)25-18/h1,4-9,13-14,29H,2-3,10-11H2,(H,24,28)(H2,22,23,25,26).
What are the key properties of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide?
4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide has a molecular weight of 407.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide is sourced from PubChem (CID 170090401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).