N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide

C22H26N6O2 — CID 134357136

IUPACN-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCN(C(=O)C1=C(C=O)CCCN1CNC1=CCC=C(c2cnccn2)C=N1)C1CC1
InChIInChI=1S/C22H26N6O2/c1-27(18-7-8-18)22(30)21-17(14-29)5-3-11-28(21)15-26-20-6-2-4-16(12-25-20)19-13-23-9-10-24-19/h4,6,9-10,12-14,18,26H,2-3,5,7-8,11,15H2,1H3
InChIKeyUYPHNJIONIULLJ-UHFFFAOYSA-N
MW406.49 g/mol
LogP1.89
Rot. Bonds7

About N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide

N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide (PubChem CID 134357136) has the molecular formula C22H26N6O2 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide
PubChem CID134357136
Molecular FormulaC22H26N6O2
Molecular Weight406.49 g/mol
Exact Mass406.21
IUPAC NameN-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide
SMILESCN(C(=O)C1=C(C=O)CCCN1CNC1=CCC=C(c2cnccn2)C=N1)C1CC1
InChIInChI=1S/C22H26N6O2/c1-27(18-7-8-18)22(30)21-17(14-29)5-3-11-28(21)15-26-20-6-2-4-16(12-25-20)19-13-23-9-10-24-19/h4,6,9-10,12-14,18,26H,2-3,5,7-8,11,15H2,1H3
InChIKeyUYPHNJIONIULLJ-UHFFFAOYSA-N
XLogP1.89
TPSA90.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-cyclopropyl-5-formyl-1-[2-[[6-(5-methoxy-3-pyridinyl)-3-pyridinyl]amino]-2-oxoethyl]-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356998
N-cyclopropyl-1-[2-[(5-fluoro-6-pyridin-3-yl-3-pyridinyl)amino]-2-oxoethyl]-5-formyl-N-methyl-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357045
5-formyl-N,N-dimethyl-1-[2-oxo-2-[(6-pyrimidin-5-yl-3-pyridinyl)amino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134357038
tert-butyl N-methyl-N-[1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-4-yl]carbamate
CID 71647139
5-formyl-N,N-dimethyl-1-[2-oxo-2-[4-(1,3-thiazol-2-yl)anilino]ethyl]-3,4-dihydro-2H-pyridine-6-carboxamide
CID 134356964
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide
CID 43602062
N-cyclohexyl-N-methyl-4-[(2S)-1-methylpyrrolidin-2-yl]pyridine-2-carboxamide
CID 95846829
tert-butyl N-methyl-N-[(3R)-1-(2-oxo-2-pyrazin-2-ylethyl)piperidin-3-yl]carbamate
CID 97167017
1,1,3-trimethyl-3-(1-pyrazin-2-ylpiperidin-4-yl)urea
CID 166603322
N-methyl-N-piperidin-4-ylpyrazine-2-carboxamide;hydrochloride
CID 71641434
N-cyclobutyl-N-methyl-2-[(pyrazin-2-ylamino)sulfanylmethylamino]acetamide
CID 143017097
N,N-dimethyl-2-[(2S)-2-pyrazin-2-ylpyrrolidin-1-yl]acetamide
CID 95841666

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The IUPAC name of N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide (CID 134357136) is N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide.
What is the SMILES notation for N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The canonical SMILES for N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide is CN(C(=O)C1=C(C=O)CCCN1CNC1=CCC=C(c2cnccn2)C=N1)C1CC1.
What is the InChIKey of N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
The InChIKey is UYPHNJIONIULLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O2/c1-27(18-7-8-18)22(30)21-17(14-29)5-3-11-28(21)15-26-20-6-2-4-16(12-25-20)19-13-23-9-10-24-19/h4,6,9-10,12-14,18,26H,2-3,5,7-8,11,15H2,1H3.
What are the key properties of N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide?
N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-5-formyl-N-methyl-1-[[(6-pyrazin-2-yl-4H-azepin-2-yl)amino]methyl]-3,4-dihydro-2H-pyridine-6-carboxamide is sourced from PubChem (CID 134357136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).