2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide

C26H29N3O2 — CID 10201954

IUPAC2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1
InChIInChI=1S/C26H29N3O2/c1-26(2)17-23(26)25(30)29-21-12-15-24(28-18-21)31-22-13-10-20(11-14-22)27-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-15,18,23,27H,6,9,16-17H2,1-2H3,(H,29,30)
InChIKeyPVBPIDGWOYJNFK-UHFFFAOYSA-N
MW415.54 g/mol
LogP5.90
Rot. Bonds9

About 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide

2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide (PubChem CID 10201954) has the molecular formula C26H29N3O2 and a molecular weight of 415.54 g/mol. Its IUPAC name is 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide
PubChem CID10201954
Molecular FormulaC26H29N3O2
Molecular Weight415.54 g/mol
Exact Mass415.23
IUPAC Name2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)Nc1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1
InChIInChI=1S/C26H29N3O2/c1-26(2)17-23(26)25(30)29-21-12-15-24(28-18-21)31-22-13-10-20(11-14-22)27-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-15,18,23,27H,6,9,16-17H2,1-2H3,(H,29,30)
InChIKeyPVBPIDGWOYJNFK-UHFFFAOYSA-N
XLogP5.90
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.54
LogP ≤ 55.90
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

N-[6-[4-[(2,2-dimethylcyclopropanecarbonyl)amino]-3-methylphenoxy]-3-pyridinyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 59912847
methyl N-[5-(3-phenylpropylamino)-2-pyridinyl]carbamate
CID 113029848
4-phenoxy-N-(3-phenylpropyl)aniline
CID 39430776
1,1-dimethyl-3-[6-(3-phenylpropoxy)-3-pyridinyl]urea
CID 13023118
3-methyl-N-[5-(3-phenylpropylamino)-2-pyridinyl]butanamide
CID 113029802
N-[6-(4-fluorophenoxy)-3-pyridinyl]cyclopropanecarboxamide
CID 117059029
N-[6-[4-[3-(4-benzylpiperazin-1-yl)-3-oxopropyl]phenoxy]-3-pyridinyl]acetamide
CID 143176119
1-(2-methoxyacetyl)-N-(6-phenoxy-3-pyridinyl)piperidine-4-carboxamide
CID 56852437
N-(4-acetamidophenyl)-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109194935
N-(6-methoxy-3-pyridinyl)-4-phenylbutanamide
CID 52615794
methyl 2-[[6-(4-butylphenoxy)-3-pyridinyl]amino]acetate
CID 167111381
6-[4-[3-(2-phenylethylamino)propyl]phenoxy]pyridine-3-carboxamide
CID 68748065

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide (CID 10201954) is 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide is CC1(C)CC1C(=O)Nc1ccc(Oc2ccc(NCCCc3ccccc3)cc2)nc1.
What is the InChIKey of 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide?
The InChIKey is PVBPIDGWOYJNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2/c1-26(2)17-23(26)25(30)29-21-12-15-24(28-18-21)31-22-13-10-20(11-14-22)27-16-6-9-19-7-4-3-5-8-19/h3-5,7-8,10-15,18,23,27H,6,9,16-17H2,1-2H3,(H,29,30).
What are the key properties of 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide?
2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide has a molecular weight of 415.54 g/mol, XLogP of 5.90, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[6-[4-(3-phenylpropylamino)phenoxy]-3-pyridinyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 10201954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).