methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate

C23H24N6O3 — CID 138728703

IUPACmethyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)c2cnc(Nc3ccc4cnccc4n3)cc2NC2CC2)C1
InChIInChI=1S/C23H24N6O3/c1-32-23(31)14-8-16(9-14)27-22(30)17-12-25-21(10-19(17)26-15-3-4-15)29-20-5-2-13-11-24-7-6-18(13)28-20/h2,5-7,10-12,14-16H,3-4,8-9H2,1H3,(H,27,30)(H2,25,26,28,29)
InChIKeyJHKLJUHNJJNMDC-UHFFFAOYSA-N
MW432.48 g/mol
LogP3.02
Rot. Bonds7

About methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate

methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate (PubChem CID 138728703) has the molecular formula C23H24N6O3 and a molecular weight of 432.48 g/mol. Its IUPAC name is methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate
PubChem CID138728703
Molecular FormulaC23H24N6O3
Molecular Weight432.48 g/mol
Exact Mass432.19
IUPAC Namemethyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate
SMILESCOC(=O)C1CC(NC(=O)c2cnc(Nc3ccc4cnccc4n3)cc2NC2CC2)C1
InChIInChI=1S/C23H24N6O3/c1-32-23(31)14-8-16(9-14)27-22(30)17-12-25-21(10-19(17)26-15-3-4-15)29-20-5-2-13-11-24-7-6-18(13)28-20/h2,5-7,10-12,14-16H,3-4,8-9H2,1H3,(H,27,30)(H2,25,26,28,29)
InChIKeyJHKLJUHNJJNMDC-UHFFFAOYSA-N
XLogP3.02
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate with MolForge

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Related Compounds

4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide
CID 155582616
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-(1-sulfanylazetidin-3-yl)pyridine-3-carboxamide
CID 170090401
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
6-[(5-cyano-2-pyridinyl)amino]-4-(cyclobutylamino)-N-[4-(methylcarbamoyl)cyclohexyl]pyridine-3-carboxamide
CID 118416740
methyl 3-(6-bromoisoquinolin-5-yl)oxycyclobutane-1-carboxylate
CID 168925802
6-[[4-(cyclobutylamino)-5-[[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]carbamoyl]-2-pyridinyl]amino]-1,5-naphthyridine-3-carboxamide
CID 118410835
4-(piperidin-4-ylamino)-6-(pyrazin-2-ylamino)pyridine-3-carboxamide;trihydrochloride
CID 67371252
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67185079
3-[(3-methoxypyridine-4-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 105063233
5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide
CID 114120804
N-cyclopropyl-3-(methylamino)pyridine-4-carboxamide
CID 105068162

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate?
The IUPAC name of methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate (CID 138728703) is methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate.
What is the SMILES notation for methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate?
The canonical SMILES for methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate is COC(=O)C1CC(NC(=O)c2cnc(Nc3ccc4cnccc4n3)cc2NC2CC2)C1.
What is the InChIKey of methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate?
The InChIKey is JHKLJUHNJJNMDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N6O3/c1-32-23(31)14-8-16(9-14)27-22(30)17-12-25-21(10-19(17)26-15-3-4-15)29-20-5-2-13-11-24-7-6-18(13)28-20/h2,5-7,10-12,14-16H,3-4,8-9H2,1H3,(H,27,30)(H2,25,26,28,29).
What are the key properties of methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate?
methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate has a molecular weight of 432.48 g/mol, XLogP of 3.02, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)pyridine-3-carbonyl]amino]cyclobutane-1-carboxylate is sourced from PubChem (CID 138728703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).