N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide

C18H23N3O2 — CID 144656207

IUPACN-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide
SMILESC=CC1=C(C=C)CN(CC(O)CNC(=O)c2ccccn2)CC1
InChIInChI=1S/C18H23N3O2/c1-3-14-8-10-21(12-15(14)4-2)13-16(22)11-20-18(23)17-7-5-6-9-19-17/h3-7,9,16,22H,1-2,8,10-13H2,(H,20,23)
InChIKeyMBCZMDIADYAOIL-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.55
Rot. Bonds7

About N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide

N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide (PubChem CID 144656207) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide
PubChem CID144656207
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC NameN-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide
SMILESC=CC1=C(C=C)CN(CC(O)CNC(=O)c2ccccn2)CC1
InChIInChI=1S/C18H23N3O2/c1-3-14-8-10-21(12-15(14)4-2)13-16(22)11-20-18(23)17-7-5-6-9-19-17/h3-7,9,16,22H,1-2,8,10-13H2,(H,20,23)
InChIKeyMBCZMDIADYAOIL-UHFFFAOYSA-N
XLogP1.55
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide?
The IUPAC name of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide (CID 144656207) is N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide?
The canonical SMILES for N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide is C=CC1=C(C=C)CN(CC(O)CNC(=O)c2ccccn2)CC1.
What is the InChIKey of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide?
The InChIKey is MBCZMDIADYAOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-14-8-10-21(12-15(14)4-2)13-16(22)11-20-18(23)17-7-5-6-9-19-17/h3-7,9,16,22H,1-2,8,10-13H2,(H,20,23).
What are the key properties of N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide?
N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4,5-bis(ethenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-hydroxypropyl]pyridine-2-carboxamide is sourced from PubChem (CID 144656207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).