N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide

C20H23N5O — CID 23562989

IUPACN-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide
SMILESO=C(CC(c1ccccn1)c1ccccn1)NCCCCc1cnc[nH]1
InChIInChI=1S/C20H23N5O/c26-20(24-12-4-1-7-16-14-21-15-25-16)13-17(18-8-2-5-10-22-18)19-9-3-6-11-23-19/h2-3,5-6,8-11,14-15,17H,1,4,7,12-13H2,(H,21,25)(H,24,26)
InChIKeyJBXSKUKOMYVPOG-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.86
Rot. Bonds9

About N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide

N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide (PubChem CID 23562989) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide.

Molecular Properties

Compound NameN-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide
PubChem CID23562989
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide
SMILESO=C(CC(c1ccccn1)c1ccccn1)NCCCCc1cnc[nH]1
InChIInChI=1S/C20H23N5O/c26-20(24-12-4-1-7-16-14-21-15-25-16)13-17(18-8-2-5-10-22-18)19-9-3-6-11-23-19/h2-3,5-6,8-11,14-15,17H,1,4,7,12-13H2,(H,21,25)(H,24,26)
InChIKeyJBXSKUKOMYVPOG-UHFFFAOYSA-N
XLogP2.86
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide?
The IUPAC name of N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide (CID 23562989) is N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide.
What is the SMILES notation for N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide?
The canonical SMILES for N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide is O=C(CC(c1ccccn1)c1ccccn1)NCCCCc1cnc[nH]1.
What is the InChIKey of N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide?
The InChIKey is JBXSKUKOMYVPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c26-20(24-12-4-1-7-16-14-21-15-25-16)13-17(18-8-2-5-10-22-18)19-9-3-6-11-23-19/h2-3,5-6,8-11,14-15,17H,1,4,7,12-13H2,(H,21,25)(H,24,26).
What are the key properties of N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide?
N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide has a molecular weight of 349.44 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-imidazol-5-yl)butyl]-3,3-dipyridin-2-ylpropanamide is sourced from PubChem (CID 23562989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).