N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide

C25H26N4O2 — CID 53497783

IUPACN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide
SMILESO=C(NCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)C1C=c2ccccc2=CC1
InChIInChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-9,11,17,20H,10,12-16H2,(H,26,30)(H,27,31)
InChIKeyRBLNCZXQJYZPBW-UHFFFAOYSA-N
MW414.51 g/mol
LogP1.27
Rot. Bonds5

About N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide

N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide (PubChem CID 53497783) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide
PubChem CID53497783
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC NameN-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide
SMILESO=C(NCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)C1C=c2ccccc2=CC1
InChIInChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-9,11,17,20H,10,12-16H2,(H,26,30)(H,27,31)
InChIKeyRBLNCZXQJYZPBW-UHFFFAOYSA-N
XLogP1.27
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide?
The IUPAC name of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide (CID 53497783) is N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide?
The canonical SMILES for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide is O=C(NCCN1CC=C(n2c(=O)[nH]c3ccccc32)CC1)C1C=c2ccccc2=CC1.
What is the InChIKey of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide?
The InChIKey is RBLNCZXQJYZPBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c30-24(20-10-9-18-5-1-2-6-19(18)17-20)26-13-16-28-14-11-21(12-15-28)29-23-8-4-3-7-22(23)27-25(29)31/h1-9,11,17,20H,10,12-16H2,(H,26,30)(H,27,31).
What are the key properties of N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide?
N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide has a molecular weight of 414.51 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-oxo-3H-benzimidazol-1-yl)-3,6-dihydro-2H-pyridin-1-yl]ethyl]-2,3-dihydronaphthalene-2-carboxamide is sourced from PubChem (CID 53497783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).