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]-N-cyclopropylformamide

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]-N-cyclopropylformamide

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]-N-cyclopropylformamide (PubChem CID 154633746) 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]-N-cyclopropylformamide.

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]-N-cyclopropylformamide
PubChem CID	154633746
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]-N-cyclopropylformamide
SMILES	C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC=C1c1cc(N(C=O)C2CC2)nc2[nH]ccc12
InChI	InChI=1S/C24H27N5O3/c1-16-13-28(23(31)24(14-25)6-10-32-11-7-24)9-5-18(16)20-12-21(29(15-30)17-2-3-17)27-22-19(20)4-8-26-22/h4-5,8,12,15-17H,2-3,6-7,9-11,13H2,1H3,(H,26,27)/t16-/m1/s1
InChIKey	MVHCMULIFPQEON-MRXNPFEDSA-N
XLogP	2.87
TPSA	102.32 Å²
H-Bond Donors	1
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Related Compounds

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]-N-cyclopropylformamide?

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]-N-cyclopropylformamide (CID 154633746) 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]-N-cyclopropylformamide.

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]-N-cyclopropylformamide?

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]-N-cyclopropylformamide is C[C@@H]1CN(C(=O)C2(C#N)CCOCC2)CC=C1c1cc(N(C=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]-N-cyclopropylformamide?

The InChIKey is MVHCMULIFPQEON-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-16-13-28(23(31)24(14-25)6-10-32-11-7-24)9-5-18(16)20-12-21(29(15-30)17-2-3-17)27-22-19(20)4-8-26-22/h4-5,8,12,15-17H,2-3,6-7,9-11,13H2,1H3,(H,26,27)/t16-/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]-N-cyclopropylformamide?

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]-N-cyclopropylformamide has a molecular weight of 433.51 g/mol, XLogP of 2.87, 5 rotatable bonds, 1 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]-N-cyclopropylformamide is sourced from PubChem (CID 154633746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).