N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide

C20H19N3O3 — CID 46411199

IUPACN-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)o1
InChIInChI=1S/C20H19N3O3/c1-13-8-9-18(26-13)14(2)22-19(24)15-5-3-7-17(11-15)23-20(25)16-6-4-10-21-12-16/h3-12,14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyZZXPPOKAFIAHBX-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.73
Rot. Bonds5

About N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide

N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 46411199) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID46411199
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC NameN-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESCc1ccc(C(C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)o1
InChIInChI=1S/C20H19N3O3/c1-13-8-9-18(26-13)14(2)22-19(24)15-5-3-7-17(11-15)23-20(25)16-6-4-10-21-12-16/h3-12,14H,1-2H3,(H,22,24)(H,23,25)
InChIKeyZZXPPOKAFIAHBX-UHFFFAOYSA-N
XLogP3.73
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[[(1S)-1-[4-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51940025
N-[3-[[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 51939972
N-[3-(1-aminoethyl)phenyl]pyridine-3-carboxamide
CID 16782541
3-amino-N-[1-(5-methylfuran-2-yl)ethyl]benzamide
CID 43703392
N-[3-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 55633487
N-[3-(propan-2-ylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 17197451
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
N-[3-[1-[4-(dimethylamino)phenyl]propan-2-ylcarbamoyl]phenyl]pyridine-3-carboxamide
CID 47088997
propan-2-yl 3-(4-methylphenyl)-3-[[3-(pyridine-3-carbonylamino)benzoyl]amino]propanoate
CID 46411380
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
N-(3-pyridin-3-ylphenyl)pyridine-3-carboxamide
CID 110461666

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide (CID 46411199) is N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide is Cc1ccc(C(C)NC(=O)c2cccc(NC(=O)c3cccnc3)c2)o1.
What is the InChIKey of N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is ZZXPPOKAFIAHBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-13-8-9-18(26-13)14(2)22-19(24)15-5-3-7-17(11-15)23-20(25)16-6-4-10-21-12-16/h3-12,14H,1-2H3,(H,22,24)(H,23,25).
What are the key properties of N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide?
N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-(5-methylfuran-2-yl)ethylcarbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 46411199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).