N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide

C21H28N4O — CID 56907316

IUPACN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide
SMILESCc1cnccc1NCCNC(=O)c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C21H28N4O/c1-16-15-23-10-7-20(16)24-11-12-25-21(26)19-4-2-3-18(14-19)13-17-5-8-22-9-6-17/h2-4,7,10,14-15,17,22H,5-6,8-9,11-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyXFIURFWOCVQQAL-UHFFFAOYSA-N
MW352.48 g/mol
LogP2.77
Rot. Bonds7

About N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide

N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide (PubChem CID 56907316) has the molecular formula C21H28N4O and a molecular weight of 352.48 g/mol. Its IUPAC name is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide
PubChem CID56907316
Molecular FormulaC21H28N4O
Molecular Weight352.48 g/mol
Exact Mass352.23
IUPAC NameN-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide
SMILESCc1cnccc1NCCNC(=O)c1cccc(CC2CCNCC2)c1
InChIInChI=1S/C21H28N4O/c1-16-15-23-10-7-20(16)24-11-12-25-21(26)19-4-2-3-18(14-19)13-17-5-8-22-9-6-17/h2-4,7,10,14-15,17,22H,5-6,8-9,11-13H2,1H3,(H,23,24)(H,25,26)
InChIKeyXFIURFWOCVQQAL-UHFFFAOYSA-N
XLogP2.77
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 52.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]pyridine-3-carboxamide
CID 131912295
2-[methyl(piperidin-4-yl)amino]-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]acetamide
CID 122558372
N-[2-(4-ethyl-1,2,4-triazol-3-yl)ethyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56884659
3-cyclopropyl-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1,2-oxazole-5-carboxamide
CID 131935565
N-(3-methyl-4-pyridinyl)-2-piperidin-4-ylacetamide
CID 119876314
N-(3-methyl-2-pyridinyl)-3-(pyrrolidin-3-ylmethyl)benzamide
CID 166616860
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-(piperidin-1-ylmethyl)benzamide
CID 72894497
N-(3-methyl-4-pyridinyl)piperidine-4-carboxamide
CID 63670702
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-1-phenylpyrazole-4-carboxamide
CID 119074513
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-4-morpholin-4-ylbenzamide
CID 131906584
N-methyl-N-[[2-(methylamino)pyrimidin-5-yl]methyl]-3-(piperidin-4-ylmethyl)benzamide
CID 56884860
9-methoxy-N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-7-oxo-2,3,4,5-tetrahydro-1H-pyrido[1,2-d][1,4]diazepine-10-carboxamide
CID 131942055

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide?
The IUPAC name of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide (CID 56907316) is N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide.
What is the SMILES notation for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide?
The canonical SMILES for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide is Cc1cnccc1NCCNC(=O)c1cccc(CC2CCNCC2)c1.
What is the InChIKey of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide?
The InChIKey is XFIURFWOCVQQAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O/c1-16-15-23-10-7-20(16)24-11-12-25-21(26)19-4-2-3-18(14-19)13-17-5-8-22-9-6-17/h2-4,7,10,14-15,17,22H,5-6,8-9,11-13H2,1H3,(H,23,24)(H,25,26).
What are the key properties of N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide?
N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide has a molecular weight of 352.48 g/mol, XLogP of 2.77, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3-methyl-4-pyridinyl)amino]ethyl]-3-(piperidin-4-ylmethyl)benzamide is sourced from PubChem (CID 56907316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).