[3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid

C18H21N7O3 — CID 89486826

About [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid

[3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid (PubChem CID 89486826) has the molecular formula C18H21N7O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid.

Molecular Properties

• Compound Name: [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid
• PubChem CID: 89486826
• Molecular Formula: C18H21N7O3
• Molecular Weight: 383.41 g/mol
• Exact Mass: 383.17
• IUPAC Name: [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid
• SMILES: CNC(=O)C(CNc1cnc(C#N)c(Nc2cc(C)cc(C)n2)c1)NC(=O)O
• InChI: InChI=1S/C18H21N7O3/c1-10-4-11(2)23-16(5-10)24-13-6-12(8-22-14(13)7-19)21-9-15(17(26)20-3)25-18(27)28/h4-6,8,15,21,25H,9H2,1-3H3,(H,20,26)(H,23,24)(H,27,28)
• InChIKey: TWOUQSCQTDAARC-UHFFFAOYSA-N
• XLogP: 1.50
• TPSA: 152.06 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.41
LogP ≤ 5	1.50
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid?

The IUPAC name of [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid (CID 89486826) is [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid.

What is the SMILES notation for [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid?

The canonical SMILES for [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid is CNC(=O)C(CNc1cnc(C#N)c(Nc2cc(C)cc(C)n2)c1)NC(=O)O.

What is the InChIKey of [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid?

The InChIKey is TWOUQSCQTDAARC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O3/c1-10-4-11(2)23-16(5-10)24-13-6-12(8-22-14(13)7-19)21-9-15(17(26)20-3)25-18(27)28/h4-6,8,15,21,25H,9H2,1-3H3,(H,20,26)(H,23,24)(H,27,28).

What are the key properties of [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid?

[3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid has a molecular weight of 383.41 g/mol, XLogP of 1.50, 7 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[[6-cyano-5-[(4,6-dimethyl-2-pyridinyl)amino]-3-pyridinyl]amino]-1-(methylamino)-1-oxopropan-2-yl]carbamic acid is sourced from PubChem (CID 89486826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).