N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide

C16H18N4O2 — CID 645717

IUPACN-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C16H18N4O2/c21-15(13-5-3-7-17-11-13)19-9-1-2-10-20-16(22)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2,(H,19,21)(H,20,22)
InChIKeySVRNFYIIGAWRNX-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.42
Rot. Bonds7

About N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide

N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide (PubChem CID 645717) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide
PubChem CID645717
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide
SMILESO=C(NCCCCNC(=O)c1cccnc1)c1cccnc1
InChIInChI=1S/C16H18N4O2/c21-15(13-5-3-7-17-11-13)19-9-1-2-10-20-16(22)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2,(H,19,21)(H,20,22)
InChIKeySVRNFYIIGAWRNX-UHFFFAOYSA-N
XLogP1.42
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.42
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-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide?
The IUPAC name of N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide (CID 645717) is N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide?
The canonical SMILES for N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide is O=C(NCCCCNC(=O)c1cccnc1)c1cccnc1.
What is the InChIKey of N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide?
The InChIKey is SVRNFYIIGAWRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c21-15(13-5-3-7-17-11-13)19-9-1-2-10-20-16(22)14-6-4-8-18-12-14/h3-8,11-12H,1-2,9-10H2,(H,19,21)(H,20,22).
What are the key properties of N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide?
N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridine-3-carbonylamino)butyl]pyridine-3-carboxamide is sourced from PubChem (CID 645717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).