N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide

C20H27N3O2 — CID 117086070

IUPACN-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cccc(Oc2ccccc2)n1)C(C)C
InChIInChI=1S/C20H27N3O2/c1-15(2)23(16(3)4)14-13-21-20(24)18-11-8-12-19(22-18)25-17-9-6-5-7-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,21,24)
InChIKeyKGCIYPQQAUYDPQ-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.72
Rot. Bonds8

About N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide

N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide (PubChem CID 117086070) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide
PubChem CID117086070
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide
SMILESCC(C)N(CCNC(=O)c1cccc(Oc2ccccc2)n1)C(C)C
InChIInChI=1S/C20H27N3O2/c1-15(2)23(16(3)4)14-13-21-20(24)18-11-8-12-19(22-18)25-17-9-6-5-7-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,21,24)
InChIKeyKGCIYPQQAUYDPQ-UHFFFAOYSA-N
XLogP3.72
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]pyridine-2-carboxamide
CID 45560410
Pyridine amide, 12
CID 44236998
6-(4-(2-(Benzylamino)ethyl)phenoxy)picolinamide
CID 44434931
N-(4-fluoro-3-methoxyphenyl)picolinamide
CID 42644786
N-(4-methoxyphenyl)-2-pyridinecarboxamide
CID 821516
N-(4-Ethoxyphenyl)picolinamide
CID 904031
4-(4-Aminophenoxy)-N-methylpicolinamide
CID 16655129
6-butoxy-N-(2-(4-((2,3-dihydrobenzo[b][1,4]dioxin-2-yl)methyl)-1,4-diazepan-1-yl)ethyl)picolinamide
CID 44579230
N-[2-[(3-propoxybenzoyl)amino]ethyl]pyridine-2-carboxamide
CID 2985341
Pyridine-2-carboxylic acid [3-(4-isopropoxy-benzoylamino)-propyl]-amide
CID 2985370
N,N'-bis(3-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 4118086
6-[4-(4-Fluorophenoxy)phenyl]-N-[2-(1-piperidinyl)ethyl]-2-pyridinecarboxamide
CID 11247128

Frequently Asked Questions

What is the IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide?
The IUPAC name of N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide (CID 117086070) is N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide.
What is the SMILES notation for N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide?
The canonical SMILES for N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide is CC(C)N(CCNC(=O)c1cccc(Oc2ccccc2)n1)C(C)C.
What is the InChIKey of N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide?
The InChIKey is KGCIYPQQAUYDPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-15(2)23(16(3)4)14-13-21-20(24)18-11-8-12-19(22-18)25-17-9-6-5-7-10-17/h5-12,15-16H,13-14H2,1-4H3,(H,21,24).
What are the key properties of N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide?
N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.72, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[di(propan-2-yl)amino]ethyl]-6-phenoxypyridine-2-carboxamide is sourced from PubChem (CID 117086070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).