N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride

C20H26ClN3O2 — CID 119651466

IUPACN-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-21-14-18-7-4-12-23(18)19(24)10-11-22-20(25)17-9-8-15-5-2-3-6-16(15)13-17;/h2-3,5-6,8-9,13,18,21H,4,7,10-12,14H2,1H3,(H,22,25);1H
InChIKeyMYGZCNLCFYXKBF-UHFFFAOYSA-N
MW375.90 g/mol
LogP2.59
Rot. Bonds6

About N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride

N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride (PubChem CID 119651466) has the molecular formula C20H26ClN3O2 and a molecular weight of 375.90 g/mol. Its IUPAC name is N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
PubChem CID119651466
Molecular FormulaC20H26ClN3O2
Molecular Weight375.90 g/mol
Exact Mass375.17
IUPAC NameN-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
SMILESCNCC1CCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C20H25N3O2.ClH/c1-21-14-18-7-4-12-23(18)19(24)10-11-22-20(25)17-9-8-15-5-2-3-6-16(15)13-17;/h2-3,5-6,8-9,13,18,21H,4,7,10-12,14H2,1H3,(H,22,25);1H
InChIKeyMYGZCNLCFYXKBF-UHFFFAOYSA-N
XLogP2.59
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.90
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-[4-(methylaminomethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119546157
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]thiophene-3-carboxamide;hydrochloride
CID 119651026
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 119648574
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]furan-2-carboxamide;hydrochloride
CID 119649101
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-naphthalen-2-ylsulfanylethanone
CID 119649621
N-[4-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-oxobutyl]thiophene-3-carboxamide;hydrochloride
CID 119649653
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-4-phenylbutan-1-one
CID 81483955
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
1-[2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 81483948
1-[(2R)-2-(methylaminomethyl)pyrrolidin-1-yl]-2-phenoxyethanone
CID 124569777
N-[3-[4-(1-aminoethyl)piperidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride
CID 119520156
4-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropoxy]benzamide;hydrochloride
CID 119649902

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The IUPAC name of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride (CID 119651466) is N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The canonical SMILES for N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride is CNCC1CCCN1C(=O)CCNC(=O)c1ccc2ccccc2c1.Cl.
What is the InChIKey of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
The InChIKey is MYGZCNLCFYXKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2.ClH/c1-21-14-18-7-4-12-23(18)19(24)10-11-22-20(25)17-9-8-15-5-2-3-6-16(15)13-17;/h2-3,5-6,8-9,13,18,21H,4,7,10-12,14H2,1H3,(H,22,25);1H.
What are the key properties of N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride?
N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride has a molecular weight of 375.90 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(methylaminomethyl)pyrrolidin-1-yl]-3-oxopropyl]naphthalene-2-carboxamide;hydrochloride is sourced from PubChem (CID 119651466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).