N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide

C22H26N4O4 — CID 47836779

IUPACN-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H26N4O4/c1-2-30-19-7-5-16(6-8-19)21(28)24-15-20(27)26-12-9-18(10-13-26)25-22(29)17-4-3-11-23-14-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyUZCIBUPOSJVUPK-UHFFFAOYSA-N
MW410.47 g/mol
LogP1.63
Rot. Bonds7

About N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide

N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide (PubChem CID 47836779) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
PubChem CID47836779
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC NameN-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
SMILESCCOc1ccc(C(=O)NCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1
InChIInChI=1S/C22H26N4O4/c1-2-30-19-7-5-16(6-8-19)21(28)24-15-20(27)26-12-9-18(10-13-26)25-22(29)17-4-3-11-23-14-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,24,28)(H,25,29)
InChIKeyUZCIBUPOSJVUPK-UHFFFAOYSA-N
XLogP1.63
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[2-(4-propylphenoxy)acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 108548465
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[1-(3-methylbutanoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 47797205
4-ethoxy-N-[2-[4-(methanesulfonamido)piperidin-1-yl]-2-oxoethyl]benzamide
CID 17425383
N-[2-(4-benzamidopiperidin-1-yl)-2-oxoethyl]benzamide
CID 34423890
ethyl 4-[(4-pyridin-3-yloxybenzoyl)amino]piperidine-1-carboxylate
CID 47990681
N-[1-[3-(4-methoxyphenyl)propanoyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836676
ethyl 4-[(4-ethoxybenzoyl)amino]piperidine-1-carboxylate
CID 31542192
4-ethoxy-N-[1-[2-(4-methylphenoxy)acetyl]piperidin-4-yl]benzamide
CID 108551924
4-ethoxy-N-[2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]benzamide
CID 9243282
N-[1-[2-[(2-phenoxyacetyl)amino]acetyl]piperidin-4-yl]benzamide
CID 17432373
N-(1-ethylpiperidin-4-yl)-4-(pyridin-3-ylmethoxy)benzamide
CID 30853915

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The IUPAC name of N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide (CID 47836779) is N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide is CCOc1ccc(C(=O)NCC(=O)N2CCC(NC(=O)c3cccnc3)CC2)cc1.
What is the InChIKey of N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide?
The InChIKey is UZCIBUPOSJVUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-2-30-19-7-5-16(6-8-19)21(28)24-15-20(27)26-12-9-18(10-13-26)25-22(29)17-4-3-11-23-14-17/h3-8,11,14,18H,2,9-10,12-13,15H2,1H3,(H,24,28)(H,25,29).
What are the key properties of N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide?
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide has a molecular weight of 410.47 g/mol, XLogP of 1.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide is sourced from PubChem (CID 47836779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).