1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide

C16H22N4O2 — CID 53446705

IUPAC1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide
SMILESNC(=O)C1=CN(CCCCN2C=C(C(N)=O)C=CC2)CC=C1
InChIInChI=1S/C16H22N4O2/c17-15(21)13-5-3-9-19(11-13)7-1-2-8-20-10-4-6-14(12-20)16(18)22/h3-6,11-12H,1-2,7-10H2,(H2,17,21)(H2,18,22)
InChIKeyCLBWITMNLVGACN-UHFFFAOYSA-N
MW302.38 g/mol
LogP0.25
Rot. Bonds7

About 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide

1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide (PubChem CID 53446705) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide.

Molecular Properties

Compound Name1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide
PubChem CID53446705
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide
SMILESNC(=O)C1=CN(CCCCN2C=C(C(N)=O)C=CC2)CC=C1
InChIInChI=1S/C16H22N4O2/c17-15(21)13-5-3-9-19(11-13)7-1-2-8-20-10-4-6-14(12-20)16(18)22/h3-6,11-12H,1-2,7-10H2,(H2,17,21)(H2,18,22)
InChIKeyCLBWITMNLVGACN-UHFFFAOYSA-N
XLogP0.25
TPSA92.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 50.25
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 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide?
The IUPAC name of 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide (CID 53446705) is 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide.
What is the SMILES notation for 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide?
The canonical SMILES for 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide is NC(=O)C1=CN(CCCCN2C=C(C(N)=O)C=CC2)CC=C1.
What is the InChIKey of 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide?
The InChIKey is CLBWITMNLVGACN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c17-15(21)13-5-3-9-19(11-13)7-1-2-8-20-10-4-6-14(12-20)16(18)22/h3-6,11-12H,1-2,7-10H2,(H2,17,21)(H2,18,22).
What are the key properties of 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide?
1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide has a molecular weight of 302.38 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-carbamoyl-2H-pyridin-1-yl)butyl]-2H-pyridine-5-carboxamide is sourced from PubChem (CID 53446705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).