N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

C24H27N5O3 — CID 138561693

About N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide

N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (PubChem CID 138561693) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• PubChem CID: 138561693
• Molecular Formula: C24H27N5O3
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide
• SMILES: C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12
• InChI: InChI=1S/C24H27N5O3/c1-15-13-29(23(31)24(14-25)6-10-32-11-7-24)9-5-17(15)19-12-20(28-22(30)16-2-3-16)27-21-18(19)4-8-26-21/h4-5,8,12,15-16H,2-3,6-7,9-11,13H2,1H3,(H2,26,27,28,30)/t15-/m1/s1
• InChIKey: GXIQELXOSKATIC-OAHLLOKOSA-N
• XLogP: 3.09
• TPSA: 111.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The IUPAC name of N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide (CID 138561693) is N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC=C1c1cc(NC(=O)C2CC2)nc2[nH]ccc12.

What is the InChIKey of N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

The InChIKey is GXIQELXOSKATIC-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-15-13-29(23(31)24(14-25)6-10-32-11-7-24)9-5-17(15)19-12-20(28-22(30)16-2-3-16)27-21-18(19)4-8-26-21/h4-5,8,12,15-16H,2-3,6-7,9-11,13H2,1H3,(H2,26,27,28,30)/t15-/m1/s1.

What are the key properties of N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide?

N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide has a molecular weight of 433.51 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(3S)-1-(4-cyanooxane-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]cyclopropanecarboxamide is sourced from PubChem (CID 138561693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).