N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

C18H21N3O3 — CID 2988570

IUPACN-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H21N3O3/c1-14-5-7-16(8-6-14)24-13-17(22)20-10-3-11-21-18(23)15-4-2-9-19-12-15/h2,4-9,12H,3,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyORIVODMXKLPPIV-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.71
Rot. Bonds8

About N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide

N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (PubChem CID 2988570) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
PubChem CID2988570
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
SMILESCc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1
InChIInChI=1S/C18H21N3O3/c1-14-5-7-16(8-6-14)24-13-17(22)20-10-3-11-21-18(23)15-4-2-9-19-12-15/h2,4-9,12H,3,10-11,13H2,1H3,(H,20,22)(H,21,23)
InChIKeyORIVODMXKLPPIV-UHFFFAOYSA-N
XLogP1.71
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.71
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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Related Compounds

Ondelopran
CID 10457387
Ro 24-0238
CID 6439060
6-(4-((Phenethylamino)methyl)phenoxy)nicotinamide
CID 44434058
Ave-0118
CID 9811357
Picafibrate
CID 68773
N-{2-(4-Methoxy-phenyl)-1-[(pyridin-3-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5442665
6-(4-(2-(Benzylamino)ethyl)phenoxy)nicotinamide
CID 44434057
6-(4-(3-(Benzylamino)propyl)phenoxy)nicotinamide
CID 44434946
6-(4-((Benzylamino)methyl)phenoxy)nicotinamide
CID 44434949
VU0404251
CID 58368068
4-methyl-N-(6-phenoxypyridine-3-carbonyl)-L-leucine
CID 153835401
9P7ZX5Bwv8
CID 9904911

Frequently Asked Questions

What is the IUPAC name of N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide (CID 2988570) is N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is Cc1ccc(OCC(=O)NCCCNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
The InChIKey is ORIVODMXKLPPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-14-5-7-16(8-6-14)24-13-17(22)20-10-3-11-21-18(23)15-4-2-9-19-12-15/h2,4-9,12H,3,10-11,13H2,1H3,(H,20,22)(H,21,23).
What are the key properties of N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide?
N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[2-(4-methylphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 2988570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).