N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide

C25H29N3O2 — CID 159770872

IUPACN-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide
SMILESCCCCC(Oc1cccc(C(=O)Nc2ccc(NCC)nc2)c1)c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-3-5-14-23(19-10-7-6-8-11-19)30-22-13-9-12-20(17-22)25(29)28-21-15-16-24(26-4-2)27-18-21/h6-13,15-18,23H,3-5,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyNGCCOFFKFTUJOB-UHFFFAOYSA-N
MW403.53 g/mol
LogP6.08
Rot. Bonds10

About N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide

N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide (PubChem CID 159770872) has the molecular formula C25H29N3O2 and a molecular weight of 403.53 g/mol. Its IUPAC name is N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide.

Molecular Properties

Compound NameN-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide
PubChem CID159770872
Molecular FormulaC25H29N3O2
Molecular Weight403.53 g/mol
Exact Mass403.23
IUPAC NameN-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide
SMILESCCCCC(Oc1cccc(C(=O)Nc2ccc(NCC)nc2)c1)c1ccccc1
InChIInChI=1S/C25H29N3O2/c1-3-5-14-23(19-10-7-6-8-11-19)30-22-13-9-12-20(17-22)25(29)28-21-15-16-24(26-4-2)27-18-21/h6-13,15-18,23H,3-5,14H2,1-2H3,(H,26,27)(H,28,29)
InChIKeyNGCCOFFKFTUJOB-UHFFFAOYSA-N
XLogP6.08
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.53
LogP ≤ 56.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(butylamino)-3-pyridinyl]-3-methoxybenzamide
CID 113009463
N-[6-(2-hydroxypropylamino)-3-pyridinyl]-3-methoxybenzamide
CID 82022486
N-[6-(butylamino)-3-pyridinyl]-3-fluorobenzamide
CID 113009457
3-butoxy-N-[4-(2-phenoxyethoxy)phenyl]benzamide
CID 4958264
N-(4-butoxyphenyl)-3-(2-phenoxyethoxy)benzamide
CID 4955059
3-fluoro-N-[6-(propylamino)-3-pyridinyl]benzamide
CID 113009042
N-[6-(ethylamino)-3-pyridinyl]-4-methylbenzamide
CID 115268582
3-[(3-butoxybenzoyl)amino]-N-phenylbenzamide
CID 54781128
3-methoxy-N-[6-(4-propan-2-ylanilino)-3-pyridinyl]benzamide
CID 113017819
N-[6-(butylamino)-3-pyridinyl]-3,4-dimethylbenzamide
CID 113009468
N-[6-(benzylamino)-3-pyridinyl]-3,5-dimethoxybenzamide
CID 113011445
N-[5-(butylamino)-2-pyridinyl]-3-methylbenzamide
CID 113023966

Frequently Asked Questions

What is the IUPAC name of N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide?
The IUPAC name of N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide (CID 159770872) is N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide.
What is the SMILES notation for N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide?
The canonical SMILES for N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide is CCCCC(Oc1cccc(C(=O)Nc2ccc(NCC)nc2)c1)c1ccccc1.
What is the InChIKey of N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide?
The InChIKey is NGCCOFFKFTUJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O2/c1-3-5-14-23(19-10-7-6-8-11-19)30-22-13-9-12-20(17-22)25(29)28-21-15-16-24(26-4-2)27-18-21/h6-13,15-18,23H,3-5,14H2,1-2H3,(H,26,27)(H,28,29).
What are the key properties of N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide?
N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide has a molecular weight of 403.53 g/mol, XLogP of 6.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(ethylamino)-3-pyridinyl]-3-(1-phenylpentoxy)benzamide is sourced from PubChem (CID 159770872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).