2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide

C21H28N4O2 — CID 67398804

IUPAC2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide
SMILESCCOc1cc(CN2CCC(Nc3cc(C(N)=O)ccn3)CC2)ccc1C
InChIInChI=1S/C21H28N4O2/c1-3-27-19-12-16(5-4-15(19)2)14-25-10-7-18(8-11-25)24-20-13-17(21(22)26)6-9-23-20/h4-6,9,12-13,18H,3,7-8,10-11,14H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyDZTZJHSMPMNJFW-UHFFFAOYSA-N
MW368.48 g/mol
LogP2.96
Rot. Bonds7

About 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide

2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide (PubChem CID 67398804) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide
PubChem CID67398804
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide
SMILESCCOc1cc(CN2CCC(Nc3cc(C(N)=O)ccn3)CC2)ccc1C
InChIInChI=1S/C21H28N4O2/c1-3-27-19-12-16(5-4-15(19)2)14-25-10-7-18(8-11-25)24-20-13-17(21(22)26)6-9-23-20/h4-6,9,12-13,18H,3,7-8,10-11,14H2,1-2H3,(H2,22,26)(H,23,24)
InChIKeyDZTZJHSMPMNJFW-UHFFFAOYSA-N
XLogP2.96
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401908
1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-amine
CID 68821598
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
CID 24855171
2-[(1-propylpiperidin-4-yl)amino]pyridine-4-carboxylic acid
CID 60708962
ethyl 4-[[4-(propylcarbamoyl)-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109165045
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
ethyl 4-[[4-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]amino]piperidine-1-carboxylate
CID 109174231
2-[(1-benzylpiperidin-4-yl)amino]-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 117086090
1-[(3-ethoxy-4-hydroxyphenyl)methyl]piperidine-4-carboxamide
CID 5180016
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-nitro-1,3-benzoxazol-2-amine
CID 68696420

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide?
The IUPAC name of 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide (CID 67398804) is 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide.
What is the SMILES notation for 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide?
The canonical SMILES for 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide is CCOc1cc(CN2CCC(Nc3cc(C(N)=O)ccn3)CC2)ccc1C.
What is the InChIKey of 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide?
The InChIKey is DZTZJHSMPMNJFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c1-3-27-19-12-16(5-4-15(19)2)14-25-10-7-18(8-11-25)24-20-13-17(21(22)26)6-9-23-20/h4-6,9,12-13,18H,3,7-8,10-11,14H2,1-2H3,(H2,22,26)(H,23,24).
What are the key properties of 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide?
2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide has a molecular weight of 368.48 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]amino]pyridine-4-carboxamide is sourced from PubChem (CID 67398804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).