6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C30H33N9O — CID 163788299

About 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 163788299) has the molecular formula C30H33N9O and a molecular weight of 535.66 g/mol. Its IUPAC name is 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• PubChem CID: 163788299
• Molecular Formula: C30H33N9O
• Molecular Weight: 535.66 g/mol
• Exact Mass: 535.28
• IUPAC Name: 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
• SMILES: CCC1=C(c2ccccn2)C=C(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)N(CC2=CNCN2C)C1
• InChI: InChI=1S/C30H33N9O/c1-3-20-16-39(17-23-15-33-19-38(23)2)28(12-24(20)26-6-4-5-11-34-26)37-30(40)29-27(35-22-13-31-18-32-14-22)10-9-25(36-29)21-7-8-21/h4-6,9-15,18,21,33,35H,3,7-8,16-17,19H2,1-2H3,(H,37,40)
• InChIKey: MULRSZVNUFWCNZ-UHFFFAOYSA-N
• XLogP: 3.97
• TPSA: 111.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	535.66
LogP ≤ 5	3.97
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 163788299) is 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is CCC1=C(c2ccccn2)C=C(NC(=O)c2nc(C3CC3)ccc2Nc2cncnc2)N(CC2=CNCN2C)C1.

What is the InChIKey of 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

The InChIKey is MULRSZVNUFWCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N9O/c1-3-20-16-39(17-23-15-33-19-38(23)2)28(12-24(20)26-6-4-5-11-34-26)37-30(40)29-27(35-22-13-31-18-32-14-22)10-9-25(36-29)21-7-8-21/h4-6,9-15,18,21,33,35H,3,7-8,16-17,19H2,1-2H3,(H,37,40).

What are the key properties of 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?

6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 535.66 g/mol, XLogP of 3.97, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[3-ethyl-1-[(3-methyl-1,2-dihydroimidazol-4-yl)methyl]-4-pyridin-2-yl-2H-pyridin-6-yl]-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 163788299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).