N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide

C13H16N2O — CID 143241309

IUPACN-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide
SMILESC=C/C(=C\C=C(/C)NC=O)N1C=CC=CC1
InChIInChI=1S/C13H16N2O/c1-3-13(8-7-12(2)14-11-16)15-9-5-4-6-10-15/h3-9,11H,1,10H2,2H3,(H,14,16)/b12-7+,13-8+
InChIKeyGHNHRMWDCPJZQE-INOXDZRUSA-N
MW216.28 g/mol
LogP2.09
Rot. Bonds5

About N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide

N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide (PubChem CID 143241309) has the molecular formula C13H16N2O and a molecular weight of 216.28 g/mol. Its IUPAC name is N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide.

Molecular Properties

Compound NameN-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide
PubChem CID143241309
Molecular FormulaC13H16N2O
Molecular Weight216.28 g/mol
Exact Mass216.13
IUPAC NameN-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide
SMILESC=C/C(=C\C=C(/C)NC=O)N1C=CC=CC1
InChIInChI=1S/C13H16N2O/c1-3-13(8-7-12(2)14-11-16)15-9-5-4-6-10-15/h3-9,11H,1,10H2,2H3,(H,14,16)/b12-7+,13-8+
InChIKeyGHNHRMWDCPJZQE-INOXDZRUSA-N
XLogP2.09
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2E,4E)-5-cyanohepta-2,4,6-trien-2-yl]formamide
CID 163488499
2,2-dimethyl-1-(2H-pyridin-1-yl)propan-1-one;hydrobromide
CID 175461218
1-penta-1,4-dien-2-yl-2H-pyridine
CID 69194691
2-(dimethylamino)-1-(2H-pyridin-1-yl)ethanone
CID 69178649
2-methylpropanoic acid;2H-pyridine-1-carboxylic acid
CID 174656079
tert-butyl 2H-pyridine-1-carboxylate
CID 15730582
N-methyl-N-propan-2-yl-2H-pyridine-1-carboxamide
CID 174513527
propan-2-yl (3Z,5Z,7Z)-2H-azocine-1-carboxylate
CID 87581933
4-methyl-1-[(3E)-6-methylhepta-1,3,5-trien-3-yl]-3,4-dihydro-2H-pyridine
CID 144774515
N-[(3E)-6-methylhepta-1,3,5-trien-3-yl]formamide
CID 142315357
N-formylprop-2-enamide;bis(propan-2-one)
CID 22614021
N-[(2E,4E)-5-(4-amino-2,7-dimethylcyclohepta-1,3,6-trien-1-yl)oxyhepta-2,4,6-trien-2-yl]formamide;N-methylpropan-2-amine
CID 143307505

Frequently Asked Questions

What is the IUPAC name of N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide?
The IUPAC name of N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide (CID 143241309) is N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide.
What is the SMILES notation for N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide?
The canonical SMILES for N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide is C=C/C(=C\C=C(/C)NC=O)N1C=CC=CC1.
What is the InChIKey of N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide?
The InChIKey is GHNHRMWDCPJZQE-INOXDZRUSA-N. The full InChI is InChI=1S/C13H16N2O/c1-3-13(8-7-12(2)14-11-16)15-9-5-4-6-10-15/h3-9,11H,1,10H2,2H3,(H,14,16)/b12-7+,13-8+.
What are the key properties of N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide?
N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide has a molecular weight of 216.28 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E,4E)-5-(2H-pyridin-1-yl)hepta-2,4,6-trien-2-yl]formamide is sourced from PubChem (CID 143241309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).