N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide

C22H26N4O3 — CID 72903010

IUPACN-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
SMILESNc1ncccc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H26N4O3/c23-20-17(2-1-11-24-20)14-25-21(27)15-5-7-18(8-6-15)29-19-9-12-26(13-10-19)22(28)16-3-4-16/h1-2,5-8,11,16,19H,3-4,9-10,12-14H2,(H2,23,24)(H,25,27)
InChIKeyFBIOIFKCJIXYQN-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.37
Rot. Bonds6

About N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide

N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide (PubChem CID 72903010) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide.

Molecular Properties

Compound NameN-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
PubChem CID72903010
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
SMILESNc1ncccc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1
InChIInChI=1S/C22H26N4O3/c23-20-17(2-1-11-24-20)14-25-21(27)15-5-7-18(8-6-15)29-19-9-12-26(13-10-19)22(28)16-3-4-16/h1-2,5-8,11,16,19H,3-4,9-10,12-14H2,(H2,23,24)(H,25,27)
InChIKeyFBIOIFKCJIXYQN-UHFFFAOYSA-N
XLogP2.37
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide
CID 30920617
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-ethylbenzamide
CID 42153100
2-(1-acetylpiperidin-4-yl)oxy-N-[(2-amino-3-pyridinyl)methyl]-5-methoxybenzamide
CID 72887052
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]benzamide
CID 72844969
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]benzamide
CID 72887706
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-phenylpropyl)benzamide
CID 25395722
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[3-(1H-imidazol-2-yl)propyl]benzamide
CID 72886728
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[(2R)-2-phenylpropyl]benzamide
CID 42508142
cyclopropyl-[4-[4-(5-methylquinolin-7-yl)phenoxy]piperidin-1-yl]methanone;hydrochloride
CID 156702415
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-[2-[(2R)-1-methylpyrrolidin-2-yl]ethyl]benzamide
CID 42241527
ethyl 4-[[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzoyl]amino]piperidine-1-carboxylate
CID 25378335
4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-N-(3-morpholin-4-ylpropyl)benzamide
CID 30921211

Frequently Asked Questions

What is the IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The IUPAC name of N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide (CID 72903010) is N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide.
What is the SMILES notation for N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The canonical SMILES for N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide is Nc1ncccc1CNC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1.
What is the InChIKey of N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
The InChIKey is FBIOIFKCJIXYQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c23-20-17(2-1-11-24-20)14-25-21(27)15-5-7-18(8-6-15)29-19-9-12-26(13-10-19)22(28)16-3-4-16/h1-2,5-8,11,16,19H,3-4,9-10,12-14H2,(H2,23,24)(H,25,27).
What are the key properties of N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide?
N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide has a molecular weight of 394.48 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-amino-3-pyridinyl)methyl]-4-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxybenzamide is sourced from PubChem (CID 72903010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).