4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide

C24H28N6O — CID 155582616

IUPAC4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide
SMILESCC(C)C1CC(NC(=O)c2cnc(Nc3ccc4cnccc4n3)cc2NC2CC2)C1
InChIInChI=1S/C24H28N6O/c1-14(2)16-9-18(10-16)28-24(31)19-13-26-23(11-21(19)27-17-4-5-17)30-22-6-3-15-12-25-8-7-20(15)29-22/h3,6-8,11-14,16-18H,4-5,9-10H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeyCXSITDYJSPSSCN-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.51
Rot. Bonds7

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

4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide (PubChem CID 155582616) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide
PubChem CID155582616
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide
SMILESCC(C)C1CC(NC(=O)c2cnc(Nc3ccc4cnccc4n3)cc2NC2CC2)C1
InChIInChI=1S/C24H28N6O/c1-14(2)16-9-18(10-16)28-24(31)19-13-26-23(11-21(19)27-17-4-5-17)30-22-6-3-15-12-25-8-7-20(15)29-22/h3,6-8,11-14,16-18H,4-5,9-10H2,1-2H3,(H,28,31)(H2,26,27,29,30)
InChIKeyCXSITDYJSPSSCN-UHFFFAOYSA-N
XLogP4.51
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide?
The IUPAC name of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide (CID 155582616) is 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide?
The canonical SMILES for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide is CC(C)C1CC(NC(=O)c2cnc(Nc3ccc4cnccc4n3)cc2NC2CC2)C1.
What is the InChIKey of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide?
The InChIKey is CXSITDYJSPSSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-14(2)16-9-18(10-16)28-24(31)19-13-26-23(11-21(19)27-17-4-5-17)30-22-6-3-15-12-25-8-7-20(15)29-22/h3,6-8,11-14,16-18H,4-5,9-10H2,1-2H3,(H,28,31)(H2,26,27,29,30).
What are the key properties of 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide?
4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.51, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropylamino)-6-(1,6-naphthyridin-2-ylamino)-N-(3-propan-2-ylcyclobutyl)pyridine-3-carboxamide is sourced from PubChem (CID 155582616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).