N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide

C15H16N4O2 — CID 108924536

IUPACN-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N4O2/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12/h1-7,10H,8-9,16H2,(H,18,20)(H,19,21)
InChIKeyMNVMSCVHAHWWNJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP0.82
Rot. Bonds5

About N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide

N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide (PubChem CID 108924536) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
PubChem CID108924536
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC NameN-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide
SMILESNc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C15H16N4O2/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12/h1-7,10H,8-9,16H2,(H,18,20)(H,19,21)
InChIKeyMNVMSCVHAHWWNJ-UHFFFAOYSA-N
XLogP0.82
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(4-chlorobenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 3975684
4-amino-N-(2-pyridin-3-ylethyl)benzamide
CID 60895367
N-[2-[[4-(4-carbamoylphenoxy)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 56545663
N-[3-[(4-fluorobenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2989240
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-(3-chloropropyl)pyridine-3-carboxamide
CID 17164667
prop-2-enyl N-[2-(pyridine-3-carbonylamino)ethyl]carbamate
CID 108570449
N-(3,3,3-trifluoropropyl)pyridine-3-carboxamide
CID 91045435
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[3-[(4-pyrrol-1-ylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 108926632

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide (CID 108924536) is N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide is Nc1ccc(C(=O)NCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide?
The InChIKey is MNVMSCVHAHWWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c16-13-5-3-11(4-6-13)14(20)18-8-9-19-15(21)12-2-1-7-17-10-12/h1-7,10H,8-9,16H2,(H,18,20)(H,19,21).
What are the key properties of N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide?
N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-aminobenzoyl)amino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 108924536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).