N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium

C38H34N8O2Ru — CID 140733316

IUPACN-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESC=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H18N4O2.2C10H8N2.Ru/c1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);2*1-8H;
InChIKeyQPLNHNMFKPYFRS-UHFFFAOYSA-N
MW735.81 g/mol
LogP6.26
Rot. Bonds9

About N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium

N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium (PubChem CID 140733316) has the molecular formula C38H34N8O2Ru and a molecular weight of 735.81 g/mol. Its IUPAC name is N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium.

Molecular Properties

Compound NameN-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium
PubChem CID140733316
Molecular FormulaC38H34N8O2Ru
Molecular Weight735.81 g/mol
Exact Mass736.18
IUPAC NameN-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium
SMILESC=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1
InChIInChI=1S/C18H18N4O2.2C10H8N2.Ru/c1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);2*1-8H;
InChIKeyQPLNHNMFKPYFRS-UHFFFAOYSA-N
XLogP6.26
TPSA135.54 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms49
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500735.81
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The IUPAC name of N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium (CID 140733316) is N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium.
What is the SMILES notation for N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The canonical SMILES for N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium is C=CCNC(=O)c1ccnc(-c2cc(C(=O)NCC=C)ccn2)c1.[Ru].c1ccc(-c2ccccn2)nc1.c1ccc(-c2ccccn2)nc1.
What is the InChIKey of N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
The InChIKey is QPLNHNMFKPYFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.2C10H8N2.Ru/c1-3-7-21-17(23)13-5-9-19-15(11-13)16-12-14(6-10-20-16)18(24)22-8-4-2;2*1-3-7-11-9(5-1)10-6-2-4-8-12-10;/h3-6,9-12H,1-2,7-8H2,(H,21,23)(H,22,24);2*1-8H;.
What are the key properties of N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium?
N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium has a molecular weight of 735.81 g/mol, XLogP of 6.26, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-2-[4-(prop-2-enylcarbamoyl)-2-pyridinyl]pyridine-4-carboxamide;bis(2-pyridin-2-ylpyridine);ruthenium is sourced from PubChem (CID 140733316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).