N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide

C24H21N5O2 — CID 154633401

IUPACN-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
SMILESN#Cc1ccc(C(=O)N2CC=C(c3cc(N(C=O)C4CC4)nc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C24H21N5O2/c25-14-16-1-3-18(4-2-16)24(31)28-11-8-17(9-12-28)21-13-22(29(15-30)19-5-6-19)27-23-20(21)7-10-26-23/h1-4,7-8,10,13,15,19H,5-6,9,11-12H2,(H,26,27)
InChIKeyOKVXAFXNXZWCCU-UHFFFAOYSA-N
MW411.47 g/mol
LogP3.49
Rot. Bonds5

About N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide

N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide (PubChem CID 154633401) has the molecular formula C24H21N5O2 and a molecular weight of 411.47 g/mol. Its IUPAC name is N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide.

Molecular Properties

Compound NameN-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
PubChem CID154633401
Molecular FormulaC24H21N5O2
Molecular Weight411.47 g/mol
Exact Mass411.17
IUPAC NameN-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
SMILESN#Cc1ccc(C(=O)N2CC=C(c3cc(N(C=O)C4CC4)nc4[nH]ccc34)CC2)cc1
InChIInChI=1S/C24H21N5O2/c25-14-16-1-3-18(4-2-16)24(31)28-11-8-17(9-12-28)21-13-22(29(15-30)19-5-6-19)27-23-20(21)7-10-26-23/h1-4,7-8,10,13,15,19H,5-6,9,11-12H2,(H,26,27)
InChIKeyOKVXAFXNXZWCCU-UHFFFAOYSA-N
XLogP3.49
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[1-(3-cyanopropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633439
N-[4-[1-(2-chloroacetyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633516
N-cyclopropyl-N-[4-[4-[[1-(4-nitrobenzoyl)piperidin-4-yl]amino]cyclohexen-1-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633600
N-[4-[1-(2-cyanoacetyl)-3,4-dihydro-2H-pyridin-5-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633846
N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633574
N-[4-[1-(2-cyanoacetyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633693
N-[4-[(2R)-1-(2-cyanoacetyl)-2-ethyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633827
N-cyclopropyl-N-[4-[1-(1,2-thiazol-5-ylmethyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]formamide
CID 154633841
N-[4-[1-(6-chloropyridine-3-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633695
N-[4-[1-(2-aminopyridine-4-carbonyl)-3-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633637
N-[4-[1-[3-(cyanomethyl)-1-(4-fluorophenyl)sulfonylazetidin-3-yl]-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633649
N-[4-[4-[[1-(2-cyanoacetyl)piperidin-4-yl]amino]phenyl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
CID 154633414

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
The IUPAC name of N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide (CID 154633401) is N-[4-[1-(4-cyanobenzoyl)-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-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
The canonical SMILES for N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is N#Cc1ccc(C(=O)N2CC=C(c3cc(N(C=O)C4CC4)nc4[nH]ccc34)CC2)cc1.
What is the InChIKey of N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
The InChIKey is OKVXAFXNXZWCCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2/c25-14-16-1-3-18(4-2-16)24(31)28-11-8-17(9-12-28)21-13-22(29(15-30)19-5-6-19)27-23-20(21)7-10-26-23/h1-4,7-8,10,13,15,19H,5-6,9,11-12H2,(H,26,27).
What are the key properties of N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide has a molecular weight of 411.47 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-cyanobenzoyl)-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is sourced from PubChem (CID 154633401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).