5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide

C20H24ClN3O3 — CID 133398414

IUPAC5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
SMILESCC(Nc1ncc(C(N)=O)cc1Cl)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-13(24-20-17(21)11-15(12-23-20)19(22)25)18(14-5-3-2-4-6-14)27-16-7-9-26-10-8-16/h2-6,11-13,16,18H,7-10H2,1H3,(H2,22,25)(H,23,24)
InChIKeyCABYNHRYUZQZAB-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.57
Rot. Bonds7

About 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide

5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide (PubChem CID 133398414) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
PubChem CID133398414
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC Name5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide
SMILESCC(Nc1ncc(C(N)=O)cc1Cl)C(OC1CCOCC1)c1ccccc1
InChIInChI=1S/C20H24ClN3O3/c1-13(24-20-17(21)11-15(12-23-20)19(22)25)18(14-5-3-2-4-6-14)27-16-7-9-26-10-8-16/h2-6,11-13,16,18H,7-10H2,1H3,(H2,22,25)(H,23,24)
InChIKeyCABYNHRYUZQZAB-UHFFFAOYSA-N
XLogP3.57
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyrazine-2-carboxylic acid
CID 122048985
2-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carbonitrile
CID 133398629
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]quinazolin-4-amine
CID 133398627
5-nitro-2-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]pyrimidine-2,4-diamine
CID 133398475
6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridazine-4-carbonitrile
CID 146107464
N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(12),2(6),8,10-tetraen-12-amine
CID 133398549
5-chloro-6-[(1-cyclopropyl-2-phenylethyl)amino]pyridine-3-carboxamide
CID 133322616
N-[(1S,2S)-1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 129398410
6-[[(2S)-1-(benzylamino)-1-oxopropan-2-yl]amino]-5-chloropyridine-3-carboxamide
CID 94588614
1-(oxan-4-yloxy)-1-phenylpropan-2-amine
CID 55017189
6-[1-(4-benzylmorpholin-2-yl)propylamino]-5-chloropyridine-3-carboxamide
CID 133364240
(2S,4S)-2-methyl-N-[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]piperidine-4-carboxamide
CID 120639699

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide (CID 133398414) is 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide is CC(Nc1ncc(C(N)=O)cc1Cl)C(OC1CCOCC1)c1ccccc1.
What is the InChIKey of 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide?
The InChIKey is CABYNHRYUZQZAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-13(24-20-17(21)11-15(12-23-20)19(22)25)18(14-5-3-2-4-6-14)27-16-7-9-26-10-8-16/h2-6,11-13,16,18H,7-10H2,1H3,(H2,22,25)(H,23,24).
What are the key properties of 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide?
5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[[1-(oxan-4-yloxy)-1-phenylpropan-2-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133398414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).