N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide

C20H24ClN3O3 — CID 119546274

IUPACN-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCNCC1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C20H24ClN3O3/c1-13-16(7-10-27-13)19(25)23-18-11-15(21)3-4-17(18)20(26)24-8-5-14(6-9-24)12-22-2/h3-4,7,10-11,14,22H,5-6,8-9,12H2,1-2H3,(H,23,25)
InChIKeyDSYXPYDGEVTETQ-UHFFFAOYSA-N
MW389.88 g/mol
LogP3.57
Rot. Bonds5

About N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide

N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide (PubChem CID 119546274) has the molecular formula C20H24ClN3O3 and a molecular weight of 389.88 g/mol. Its IUPAC name is N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
PubChem CID119546274
Molecular FormulaC20H24ClN3O3
Molecular Weight389.88 g/mol
Exact Mass389.15
IUPAC NameN-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
SMILESCNCC1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)CC1
InChIInChI=1S/C20H24ClN3O3/c1-13-16(7-10-27-13)19(25)23-18-11-15(21)3-4-17(18)20(26)24-8-5-14(6-9-24)12-22-2/h3-4,7,10-11,14,22H,5-6,8-9,12H2,1-2H3,(H,23,25)
InChIKeyDSYXPYDGEVTETQ-UHFFFAOYSA-N
XLogP3.57
TPSA74.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.88
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide (CID 119546274) is N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide is CNCC1CCN(C(=O)c2ccc(Cl)cc2NC(=O)c2ccoc2C)CC1.
What is the InChIKey of N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
The InChIKey is DSYXPYDGEVTETQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN3O3/c1-13-16(7-10-27-13)19(25)23-18-11-15(21)3-4-17(18)20(26)24-8-5-14(6-9-24)12-22-2/h3-4,7,10-11,14,22H,5-6,8-9,12H2,1-2H3,(H,23,25).
What are the key properties of N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide?
N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide has a molecular weight of 389.88 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-2-[4-(methylaminomethyl)piperidine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 119546274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).