N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide

C23H21N5O3 — CID 67013433

IUPACN-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)Nc1ccc(C(=O)C=Cc2ccccn2)cc1
InChIInChI=1S/C23H21N5O3/c29-21(11-10-19-5-1-2-13-25-19)17-6-8-20(9-7-17)28-23(31)27-15-14-26-22(30)18-4-3-12-24-16-18/h1-13,16H,14-15H2,(H,26,30)(H2,27,28,31)
InChIKeyLZNSJBMSTQYEIF-UHFFFAOYSA-N
MW415.45 g/mol
LogP2.92
Rot. Bonds8

About N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide

N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide (PubChem CID 67013433) has the molecular formula C23H21N5O3 and a molecular weight of 415.45 g/mol. Its IUPAC name is N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide
PubChem CID67013433
Molecular FormulaC23H21N5O3
Molecular Weight415.45 g/mol
Exact Mass415.16
IUPAC NameN-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide
SMILESO=C(NCCNC(=O)c1cccnc1)Nc1ccc(C(=O)C=Cc2ccccn2)cc1
InChIInChI=1S/C23H21N5O3/c29-21(11-10-19-5-1-2-13-25-19)17-6-8-20(9-7-17)28-23(31)27-15-14-26-22(30)18-4-3-12-24-16-18/h1-13,16H,14-15H2,(H,26,30)(H2,27,28,31)
InChIKeyLZNSJBMSTQYEIF-UHFFFAOYSA-N
XLogP2.92
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-pyridin-2-yl-1-pyridin-3-ylprop-2-en-1-one
CID 19553305
2-(dimethylamino)-N-[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]acetamide;hydrochloride
CID 45048250
N-(pyridin-2-ylmethylideneamino)pyridine-3-carboxamide
CID 577497
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 108924536
N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
(Z)-1-(4-chlorophenyl)-3-pyridin-2-ylprop-2-en-1-one
CID 92856000
N-prop-2-enyl-4-(2-pyridin-3-ylethylcarbamoylamino)benzamide
CID 87010679
N-[4-(3-oxo-3-pyridin-3-ylprop-1-enyl)phenyl]acetamide
CID 622324
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[4-(prop-2-ynylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 122188018

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide (CID 67013433) is N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide is O=C(NCCNC(=O)c1cccnc1)Nc1ccc(C(=O)C=Cc2ccccn2)cc1.
What is the InChIKey of N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is LZNSJBMSTQYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O3/c29-21(11-10-19-5-1-2-13-25-19)17-6-8-20(9-7-17)28-23(31)27-15-14-26-22(30)18-4-3-12-24-16-18/h1-13,16H,14-15H2,(H,26,30)(H2,27,28,31).
What are the key properties of N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide?
N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 415.45 g/mol, XLogP of 2.92, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(3-pyridin-2-ylprop-2-enoyl)phenyl]carbamoylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 67013433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).