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

C20H21N5O2 — CID 154633574

IUPACN-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
SMILESCC1CC(c2cc(N(C=O)C3CC3)nc3[nH]ccc23)=CCN1C(=O)CC#N
InChIInChI=1S/C20H21N5O2/c1-13-10-14(6-9-24(13)19(27)4-7-21)17-11-18(25(12-26)15-2-3-15)23-20-16(17)5-8-22-20/h5-6,8,11-13,15H,2-4,9-10H2,1H3,(H,22,23)
InChIKeyHUYZWUTULWBONE-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.61
Rot. Bonds5

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

N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide (PubChem CID 154633574) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide.

Molecular Properties

Compound NameN-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
PubChem CID154633574
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide
SMILESCC1CC(c2cc(N(C=O)C3CC3)nc3[nH]ccc23)=CCN1C(=O)CC#N
InChIInChI=1S/C20H21N5O2/c1-13-10-14(6-9-24(13)19(27)4-7-21)17-11-18(25(12-26)15-2-3-15)23-20-16(17)5-8-22-20/h5-6,8,11-13,15H,2-4,9-10H2,1H3,(H,22,23)
InChIKeyHUYZWUTULWBONE-UHFFFAOYSA-N
XLogP2.61
TPSA93.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
The IUPAC name of 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) is N-[4-[1-(2-cyanoacetyl)-2-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-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
The canonical SMILES for N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is CC1CC(c2cc(N(C=O)C3CC3)nc3[nH]ccc23)=CCN1C(=O)CC#N.
What is the InChIKey of N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
The InChIKey is HUYZWUTULWBONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-10-14(6-9-24(13)19(27)4-7-21)17-11-18(25(12-26)15-2-3-15)23-20-16(17)5-8-22-20/h5-6,8,11-13,15H,2-4,9-10H2,1H3,(H,22,23).
What are the key properties of N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide?
N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide has a molecular weight of 363.42 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(2-cyanoacetyl)-2-methyl-3,6-dihydro-2H-pyridin-4-yl]-1H-pyrrolo[2,3-b]pyridin-6-yl]-N-cyclopropylformamide is sourced from PubChem (CID 154633574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).