N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide

C30H39N7O2 — CID 156713246

About N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide

N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide (PubChem CID 156713246) has the molecular formula C30H39N7O2 and a molecular weight of 529.69 g/mol. Its IUPAC name is N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide.

Molecular Properties

• Compound Name: N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide
• PubChem CID: 156713246
• Molecular Formula: C30H39N7O2
• Molecular Weight: 529.69 g/mol
• Exact Mass: 529.32
• IUPAC Name: N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide
• SMILES: C=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1CCC.CCCN(C)C
• InChI: InChI=1S/C25H26N6O2.C5H13N/c1-5-9-16-14-22(33-4)21(15-20(16)27-23(32)6-2)29-25-26-13-12-19(28-25)24-17-10-7-8-11-18(17)30-31(24)3;1-4-5-6(2)3/h6-8,10-15H,2,5,9H2,1,3-4H3,(H,27,32)(H,26,28,29);4-5H2,1-3H3
• InChIKey: DFIUYCIFVVUTSF-UHFFFAOYSA-N
• XLogP: 5.82
• TPSA: 97.20 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 10
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	529.69
LogP ≤ 5	5.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?

The IUPAC name of N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide (CID 156713246) is N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide.

What is the SMILES notation for N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?

The canonical SMILES for N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide is C=CC(=O)Nc1cc(Nc2nccc(-c3c4ccccc4nn3C)n2)c(OC)cc1CCC.CCCN(C)C.

What is the InChIKey of N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?

The InChIKey is DFIUYCIFVVUTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2.C5H13N/c1-5-9-16-14-22(33-4)21(15-20(16)27-23(32)6-2)29-25-26-13-12-19(28-25)24-17-10-7-8-11-18(17)30-31(24)3;1-4-5-6(2)3/h6-8,10-15H,2,5,9H2,1,3-4H3,(H,27,32)(H,26,28,29);4-5H2,1-3H3.

What are the key properties of N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide?

N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide has a molecular weight of 529.69 g/mol, XLogP of 5.82, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethylpropan-1-amine;N-[4-methoxy-5-[[4-(2-methylindazol-3-yl)pyrimidin-2-yl]amino]-2-propylphenyl]prop-2-enamide is sourced from PubChem (CID 156713246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).