N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide

C25H35N3O3 — CID 56545254

IUPACN',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H35N3O3/c1-4-16-28(17-5-2)25(30)14-9-13-24(29)27-20(3)21-10-8-12-23(18-21)31-19-22-11-6-7-15-26-22/h6-8,10-12,15,18,20H,4-5,9,13-14,16-17,19H2,1-3H3,(H,27,29)
InChIKeyNIUMWQJTSCVVNK-UHFFFAOYSA-N
MW425.57 g/mol
LogP4.66
Rot. Bonds13

About N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide

N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide (PubChem CID 56545254) has the molecular formula C25H35N3O3 and a molecular weight of 425.57 g/mol. Its IUPAC name is N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide.

Molecular Properties

Compound NameN',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
PubChem CID56545254
Molecular FormulaC25H35N3O3
Molecular Weight425.57 g/mol
Exact Mass425.27
IUPAC NameN',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide
SMILESCCCN(CCC)C(=O)CCCC(=O)NC(C)c1cccc(OCc2ccccn2)c1
InChIInChI=1S/C25H35N3O3/c1-4-16-28(17-5-2)25(30)14-9-13-24(29)27-20(3)21-10-8-12-23(18-21)31-19-22-11-6-7-15-26-22/h6-8,10-12,15,18,20H,4-5,9,13-14,16-17,19H2,1-3H3,(H,27,29)
InChIKeyNIUMWQJTSCVVNK-UHFFFAOYSA-N
XLogP4.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.57
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-3-(pyrimidin-2-ylamino)propanamide
CID 55959044
3-(2-methylpropoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902641
4-(2-phenylethoxy)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 55901621
3-(4-methylphenyl)sulfonyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55901736
N-butan-2-yl-3-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethylcarbamoylamino]propanamide
CID 47065984
3-[4-(diethylsulfamoyl)phenyl]-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902128
4-iodo-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]benzamide
CID 55901485
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pyridine-3-carboxamide
CID 47063190
3-(1,3-benzothiazol-2-yl)-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]propanamide
CID 55902120
4-amino-3-methoxy-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide;dihydrochloride
CID 120595493
N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 55902507
(2S)-2-amino-3,3-dimethyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]butanamide
CID 119852161

Frequently Asked Questions

What is the IUPAC name of N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide?
The IUPAC name of N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide (CID 56545254) is N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide.
What is the SMILES notation for N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide?
The canonical SMILES for N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide is CCCN(CCC)C(=O)CCCC(=O)NC(C)c1cccc(OCc2ccccn2)c1.
What is the InChIKey of N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide?
The InChIKey is NIUMWQJTSCVVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H35N3O3/c1-4-16-28(17-5-2)25(30)14-9-13-24(29)27-20(3)21-10-8-12-23(18-21)31-19-22-11-6-7-15-26-22/h6-8,10-12,15,18,20H,4-5,9,13-14,16-17,19H2,1-3H3,(H,27,29).
What are the key properties of N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide?
N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide has a molecular weight of 425.57 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dipropyl-N-[1-[3-(pyridin-2-ylmethoxy)phenyl]ethyl]pentanediamide is sourced from PubChem (CID 56545254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).